CACEE 2022-Abstract Book 13.10.22

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CACEE-2022 PROGRAM
th th
Pre-Conference CO2India Twitter Poster Session on 28 and 29 October, at @co2india
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Monday 31 October 2022 (DAY-1)
10.00 – 13.00 IST Registration
13.00 – 14.00 Lunch
Session 1- Auditorium (Chair- Prof. R. Venkatramani, TIFR, Mumbai)
14.00-
INAGURATION [Director, TIFR; Dean, NSF and Prof. D. D. Sarma (IISc, Banglore)]
14.30
14.30- PL-1 Plenary-1: Prof. D. D. Sarma (IISc, Bangalore)

15.15 “Diversity of Material Properties in Low Dimensional Hybrid Halide Materials”
15.25- IL-1 Prof. Pramod Pillai (IISER, Pune)
15.50 “‘Hot Carriers’ and ‘Hot Surfaces’: The Two Faces of Plasmons in Chemical
Transformations ”
15.55- IL-2 Prof. Vishal Govind Rao (IIT, Kanpur)
16.20 “Extracting Charge Carriers from Plasmonic Nanocomposites for
Photocatalysis”
16.25-17.30 Tea Break / Group Photo
Session 2- Auditorium (Chair- Prof. Vamsee Voora, TIFR, Mumbai)
17.30- IL-3 Prof. Emiliano Cortés (University of Munich, Germany)

17.55 (online) “Plasmonic and Photonic Catalysts for Solar to Chemical Energy Conversion”
18.00- IL-4 Prof. Prashant Jain (University of Illinois, USA)

18.25 (online) “Manufacturing fuels and chemicals using light”
18.30- KN-1 Prof. Suljo Linic (University of Michigan, USA)

19.05 (online) “Flow and extraction of energy and charge carriers in hybrid plasmonic
nanostructures”
19.10- PL-2 Plenary-2: Prof. Geoffrey Ozin (University of Toronto, Canada)
19.55 (online) “Accelerated Opto-Chemical Engineering Solutions to CO2 Photocatalysis for a
Sustainable Future”
20.05-22.00 DINNER and End of Day-1
Plenary (PL) : 45 + 10 minutes, Keynote (KN) : 35 + 5 min, Invited Talk (IL): 25 + 5 min, Special
Invited Talk (SIL): 20 + 5 min, Oral Talk (OL): 12 + 3 min; all times are in Indian Standard Time (IST)
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Tuesday 1 November 2022 (DAY-2)
8.00-9.00 IST Breakfast
Session 3- Auditorium (Chair- Prof. Ankona Datta , TIFR, Mumbai)
9.30-9.55 IL-5 Prof. Rahul Banerjee (IISER, Kolkata)

“Landscaping Porous Morphologies”
10.00- IL-6 Prof. Tapas Maji (JNCSAR, Bangalore)
10.25 “Post-Modified MOF as Photocatalyst towards CO2 Reduction to Fuel”
10.30- PL-3 Plenary-3: Prof. Bert Weckhuysen (Utrecht University, Netherlands)

11.15 (online) “Advances in Operando Spectroscopy and its Role in the Refinery of the
Future”
11.30-12.00 Tea Break
Session 4- Auditorium (Chair- Prof. ASR Koti, TIFR, Mumbai)
12.00 - IL-7 Prof. Swadhin Mandal (IISER, Kolkata)

12.25 “Expanding the Scope of CO2 Functionalization: A Metal-free Approach”
12.30– IL-8 Prof. Vivek Polshettiwar (TIFR, Mumbai)

12.55 “Plasmonic Black Gold-Nickel for Storing Solar Energy into Carbon Dioxide”
13.00-14.00 Lunch
Session 5- Auditorium (Chair- Dr. Sukhendu Nath, BARC)
14.00- IL-9 Prof. Ayan Datta (IACS, Kolkata)

14.25 “Buckling and Defects in Two - Dimensional Atomically Thin Monolayers”
14.30- IL-10 Prof. Aditi Halder (IIT, Mandi)
14.55 “Shifting Towards Solar Energy-Systematic Designing of Catalysts for
Sustainable Energy Conversion”
15.00- IL-11 Prof. Sreekumar Kurungot (NCL, Pune)
15.25 “An Overview of the CSIR’s Efforts for Indigenizing the PEM Fuel Cell Techn.
from Sub-Component Development to System Level Demonstrations”
15.30-16.00 Tea Break

Session 6- Auditorium (Chair- Anant Kapdi, ICT, Mumbai)
16.00- KN-2 Prof. Kuo-Wei Huang (KAUST, KSA)

16.35 (online) “Fueling the Future”
16.40- IL-12 Prof. Pedro Camargo (University of Helsinki, Finland)

17.15 (online) “Addressing plasmonic catalysis with designer nanomaterials”
17.20-18.20
POSTER Session
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No Dinner, End of Day-2
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Wednesday 2 November 2022 (Day-3)
Session 7- Auditorium (Chair- Prof. Malay Patra, TIFR, Mumbai)

9.30- KN-3 Prof. BLV Prasad (NCL, Pune)
10.05
“Mechanistic aspects of methanol electro-oxidation reaction through cyclic
voltammetry: Is it correct to blame carbon monoxide for catalyst poisoning?”
10.10- IL-13 Prof. Rajnish Kumar (IIT, Chennai)
10.35
“Gas hydrates may play a role towards net zero CO2 target”
10.40- IL-14 Prof. J. Dasgupta (TIFR, Mumbai)

10.55
“The first Fe(IV)-superoxo complex: Trapping and Reactivity”
11.00-11.30 Tea Break
Session 8- Auditorium Session 9- AG66

(Chair- Prof. Shaibal Kanti Sarkar, IIT, Mumbai) (Chair- Prof. Atul Chaskar, Mumbai University)
11.30- IL-15 Prof. M. Ali Haider (IIT, Delhi) IL-18 Prof. S. Sharma (IIT, Gandhinagar)
11.55
“Changing Paradigm in Catalysis: “Ni/Co in and on CeO2: A
Reactivity of Single Atom Alloys and comparative study on dry reforming
Nanoclusters” reaction ”
12.00 - IL-16 Prof. Vikram Vishal (IIT, Mumbai) IL-19 Prof. Ruchi Anand (IIT, Mumbai)
12.25
“Can carbon capture and storage in “Design of Biosensors for
India accelerate the efforts towards Enviornmental Monitoring of
net-zero emissions?” Aromatic Pollutants”
12.30– IL-17 Dr. Mrinal Pai (BARC, Mumbai) IL-20 Prof. Sunil Patil (IISER, Mohali)
12.55
“Potential of Cu-Cl thermochemical “Carbon dioxide utilization through
Cycle and Carbon Nitride based microbial electrosynthesis process”
photocatalysts for Hydrogen
Generation”
13.00-14.00 Lunch

(Chair- TBD) (Chair- Prof. P. Sarwade, Mumbai University)
14.00- IL-21 Prof. C. Ranjan (IISc, Bangalore) IL-22 Prof. Arnab Dutta (IIT, Mumbai)
14.25
“CO2 electro-reduction using solid “The Reversible conversion of CO2 to
oxide electrochemical cells: Beyond CO by molecular electrocatalysis”
Ni-YSZ”
14.30- SIL-1 Prof. N. Singh (Khalifa University of SIL-4 Prof. P. Kumar (IACS, Kolkatta)
14.50 Sci. & Tech. Abu Dhabi)
“Janus 2D Materials for Spin
“Utilizing 2D Materials for Manipulted Photoelectrochemcial H
Sustainable Energy: A Theoretical 2 Generation”
Perspective”
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14.55- SIL-2 Prof. Murthy Dharmapura SIL-5 Dr. Dinesh Sawant (NCL, Pune)
15.15 (Manipal Institute of Technology,
“Catalytic Amidation a Greener and
Manipal)
Economical Alternative”
“Origin of enhanced overall water
splitting efficiency in aluminium-
doped SrTiO3 photocatalyst revealed
by in-situ charge carrier dynamics
study”
15.20- SIL-3 Prof. Santanu Bhattacharyya SIL-6 Prof. Gulzar Ahmad Bhat
15.40 (IISER, Berhampur) (University of Kashmir, Srinagar)
“Optimization of Carbon Based “Utilization of Carbon Dioxide for
Nanomaterials for Photocatalytic making Biodegradable Polymers and
Solar Hydrogen Production: Towards Post Polymerization
Cost-effective and Eco-friendly Functionalisation
Approach”
15.45-16.15 Tea Break
Session 12- Auditorium (Chair- Prof. Shouvik Chatterjee, TIFR, Mumbai

16.15- KN-4 Prof. Jorge Gascon (KAUST, KSA)
16.55
(online) “On the efficient transformation of CO2 to useful chemicals”
17.00- PL-4 Plenary-4: Prof. Manish Chhowalla (University of Cambridge, UK)

17.45
(online) “Metallic 1T phase MoS2 cathodes for lithium sulfur batteries”
18.00-19.00 POSTER Session
19.30-22.00 GALA DINNER and End of Day-3
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Thursday 3 November 2022 (Day-4)

Session 13- Auditorium (Chair- Prof. Vaibhav Prabhudessai, TIFR, Mumbai)
09.30- KN-5 Prof. Jitendra Bera (IIT, Kanpur)

10.05
“Bifunctionality in Organometallic Catalysis”
10.10- IL-23 Prof. Atsushi Urakawa (Delft University of Technology, Netherlands)
10.35
“Enabling Integrated CO2 Capture and Conversion by Dual Function
Materials”
10.40- IL-24 Prof. Venkata Krishnan (IIT, Mandi)
10.55
“Green Chemistry and Catalysis for Achieving Sustainable Development
Goals”
11.30-12.00 Tea Break

(Chair- Prof. Sangita Bose, CBSE, Mumbai) (Chair- Dr. Jitendra Bahadur, BARC)
11.30- IL-25 Prof. Tharamani C. N (IIT, Ropar) IL-27 Prof. Abinaya Sampath (IIT,
11.55 Gandhinagar)
“Conversion of industrial waste
H2S pollutant to value-added “Spectroscopic Investigations of O-O
products” Bond Activation over Au Catalysts for
Partial Oxidation Reactions”
12.00 - IL-26 Prof. Soumya Ghosh (TIFR, IL-28 Prof. Atul Wankhede (VNIT, Nagpur)
12.25 Hyderabad)
“Visible Light Harvesting
“Dipole moment fluctuations of Nanostructures Materials for Water
water molecules near metal-water Splitting and Environment
interface” Remediation ”
12.30– SIL-7 Prof. Indrajit Shown (HITS, SIL-8 Dr. Nazmul Shaikh (Hokkaido
12.50 Chennai) “Interfacial band University, Japan)
structure engineering and
“Selective Hydrogenation of CO2 to
molecular CO2 interaction on
CO at the Interfacial Site with Oxygen
heterostructure photocatalysts
Vacancy Created by Doping Co in
for CO2 reduction”
ZrO2”
13.00-14.00 Lunch
14.00–15.00
Poster Session

(Chair- Prof. Sanjog Nagarkar, IIT, Mumbai) (Chair- TBD)
15.00- IL-29 Dr. Dietmar Hueglin (BASF, IL-31 Dr. Sharad Lande (Reliance
15.25 Mumbai) Industries, Mumbai)
“Sustainability –The chemical “Insight into Industrial Catalysis”
industry’s key topic for the 21 st
century”
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15.30- IL-30 Dr. Chiranjeevi Thota (BPCL, IL-32 Prof. Arindam Sarkar (IIT, Mumbai)
15.55 Noida)
“Correlating chemical and
“CO2 Capture and Valorization to electrochemical catalysis”
high value Chemicals: BPCL
Initiatives”
16.00- SIL- By Thermo SIL-9 By Gatan
16.25 10
11.30-12.00 Tea Break
Session 18- Auditorium (Chair- TBD)
16.45- IL-33 Prof. Yu Han (KAUST, KSA)

17.10
(online) “Electron Microscopy Imaging of Electron Beam-Sensitive Materials”
17.15- IL-34 Prof. Jacinto Sa (Uppssala University, Sweden.)
17.40
(online) “Plasmons: From Light to Chemicals”
17.45-19.30 CO2 India Discussion Meeting : India’s Path for Net Zero
19.30-22.00 DINNER and the End of Day-4
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Friday 4th November 2022 (Day-5)
Session 19- Auditorium (Chair- Prof. Kalaivanan Nagarajan, TIFR, Mumbai)

9.30- KN-6 Prof. Toshiharu Teranishi (Kyoto University, Japan)
10.05 (online) “Synthesis of Near Infrared Plasmonic Nanoparticles for Hydrogen Evolution”
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10.10- OL-1 Will be declared on 3 November based on poster evaluation by judges
10.25
rd
10.25- OL-2 Will be declared on 3 November
10.40
rd
10.55
11.00-11.20 Breakfast
Session 20- Auditorium (Chair- TBD)

rd
11.35
rd
12.00
rd
12.15
12.15- IL-35 Prof. Rafael Luque (University of Cordoba, Spain)
12.40
(online) “TBD”
12.45- KN-7 Prof. Paolo Fornasiero (University of Trieste, Italy)
13.20
(online) “TBD”
13.25-14.00 CONCLUDING PROGRAM and AWARDS
14.00-15.00 LUNCH and the End of CACEE-2022
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14
Diversity of Material Properties in Low Dimensional Hybrid Halide Materials
D. D. Sarma
Solid State and Structural Chemistry Unit, Indian Institute of Science, Bengaluru 560012, India.
E-mail: [email protected]
Abstract
3-dimensional hybrid halide perovskites have been intensely researched because of their extraordinary
optoelectronic properties with spectacular quantum efficiencies arising primarily from their suitable bandgaps
to harvest the solar spectrum, low excitonic binding energies, and low-cost synthetic processes. However,
stabilizing these materials under real-life operating conditions has proven to be a challenge, leading to
extensive explorations of lower dimensional analogous hybrid halide materials that are often more stable,
though, in general, having considerably higher bandgaps and excitonic binding energies. A wide variety of
properties have been discovered in this class of materials, revealing many fundamental aspects of these unique
systems. I shall present some of our investigations leading to the synthesis of interesting 2-dimensional hybrid
halide materials with exciting properties, such as a 2-D hybrid lead halide compound with the lowest bandgap
and excitonic binding energy1 and another quasi 2-D hybrid copper halide compound with the best
characteristics of a self-powered UV photodetector2 among their classes of materials.
References
1. Debasmita Pariari, Sakshi Mehta, Sayak Mandal, Arup Mahata, Titas Pramanik, Sujit Kamilya, Trupthi Deviah
Chonamada, Arya Vidhan, Tayur N. Guru Row, Pralay K. Santra, Shaibal K. Sarkar, Filippo De Angelis, Abhishake
Mondal, and D. D. Sarma, upublished.
2. Ranjan Das, Modasser Hossain, Arup Mahata, Diptikanta Swain, Filippo De Angelis, Pralay K. Santra, and D. D. Sarma,
unpublished.
Prof. D. D. Sarma,
Honorary Professor,
Solid State and Structural Chemistry Unit, Indian Institute of Science
Also at CSIR-NIIST, Thiruvananthapuram
Email: [email protected]
Web: https://sscu.iisc.ac.in/people/DDSarma/
D. D. Sarma obtained a 5-year Integrated MSc (1977) in Physics from IIT Kanpur and a Ph.D. (1982) from
IISc. He worked at Kernforschungsanlage Jülich during 1984-1986. He was a faculty member at IISc during
1986-2021. Presently he is an Honorary Professor and CSIR Bhatnagar Fellow at IISc and is also affiliated to
CSIR-NIIST at Thiruvananthapuram. His research interest spans the science of strongly correlated electron
systems, semiconductor nanocrystals, and energy materials. He has published about 500 scientific papers and
holds several patents. He is an elected Fellow of all three Indian science academies, the Engineering Academy
in India, the World Academy of Sciences (TWAS), and the American Physical Society. He has received many
national and international awards and recognitions, including multiple Honoris Causa Doctorate degrees. He
has held several academic positions, such as J N Tata Chair Professor at IISc, Gaspard Monge Visiting
Professor at Ecole Polytechnique, University Professor at University of Vienna, Guest Professor at Uppsala
University, Visiting Professor at University of Tokyo, Distinguished Scientist of CSIR, MLS Chair Professor
at IACS, Adjunct Professor at TIFR, Honorary Professor at JNCASR and SNBNCBS, and Distinguished
Visiting Professor and Eminent Visiting Fellow at IACS.
15
Accelerated Opto-Chemical Engineering Solutions to CO2 Photocatalysis for a
Sustainable Future
Geoffrey Ozin
Solar Fuels Group, Chemistry Department, University of Toronto, Toronto, Ontario, Canada
Email: [email protected], Website: www.solarfuels.utoronto.ca
Abstract
There exists no logical reason why commodity chemicals and fuels produced by CO 2 photocatalysis cannot
be competitive with CO2 thermocatalysis, electrocatalysis, and biocatalysis, providing the desired energy
efficiency, scalability, carbon footprint, and cost performance metrics are achieved. In this quest, CO2
photocatalysis research and development must advance in four main directions: (i) use of machine learning
and optical and thermal physics modelling of light capture and transport in photocatalysts and photoreactors,
(ii) design, engineering and testing of targeted photocatalysts and photoreactors, (iii) tactics for integrating
photovoltaics and light emitting diodes for 24-7 operations, and (iv) technoeconomic and life cycle analyses
for assessing process viability and productivity. Meeting these goals as efficiently and effectively as possible
in a process that is immune from solar intermittency, will ensure a bright future for CO 2 photocatalysis.
Perhaps those carbon footprints may be considered as a drop-in replacement for fossil resources and are
leading the way to a more sustainable future.
Prof. Geoffrey Ozin

Solar Fuels Group, Chemistry Department
University of Toronto, Toronto, Ontario, Canada
www.solarfuels.utoronto.ca.
Geoffrey A. Ozin is a distinguished University Professor at the University of Toronto and Government of
Canada Research Chair in Materials Chemistry and Nanochemistry. He currently spearheads the Solar Fuels
Team at the University of Toronto, www.solarfuels.utoronto.ca. He has held positions as Honorary Professor
at The Royal Institution of Great Britain and University College London, External Adviser for the London
Centre for Nanotechnology, Alexander von Humboldt Senior Scientist at the Max Planck Institute for Surface
and Colloid Science and the Center for Functional Nanostructures at the Karlsruhe Institute of Technology,
Global Chair at Bath University, and Leverhulme Professor at Imperial College London. He is the author of
six books: Cryochemistry (Wiley 1976), Nanochemistry: A Chemical Approach to Nanomaterials (RSC
2006), Concepts of Nanochemistry (Wiley-VCH 2009), The Story of CO2: Big Ideas for a Small Molecule
(UTP 2020), Energy Materials Discovery Enables a Sustainable Future (RSC 2022), The Story of CH4: Five
Atoms that Changed the World (RSC 2023). Co- founder of several Canadian spinoff companies Torrovap,
Opalux, and Solistra, and recipient of numerous prestigious awards most recently the Killam Prize in Natural
Science, Albert Einstein Award in Science, Centenary Prize in Nanochemistry, and World Technology Award
in Energy. He lives with his wife in Toronto, Canada
16
Advances in Operando Spectroscopy and its Role in the Refinery of the Future
Bert Weckhuysen*
Department of Chemistry, Faculty of Science, Utrecht University, the Netherlands.
Abstract
As we enter the era of catalytic activation of small molecules, such as CO2, CO, N2 and H2O, to realize the
refinery of the future one of the main questions to answer for scientists involve the coupling of carbon
fragments, originating from CO2, either produced at point sources, or harvested from direct air capture (DAC)
units. The overall goal is to manufacture increasingly complex (and thus value-added) carbon-containing
molecules from CO2 or via its intermediates CO and CH3OH instead of making them from crude oil fractions.
This requires a profound knowledge of the processes taking place at the catalytic surface of both thermo- and
electrocatalytic activation processes of CO2, was well as of the subsequent chemical conversion processes in
which carbon monoxide (Fischer-Tropsch synthesis, FTS), biomethane (selective C-H activation and
methanol (methanol-to-hydrocarbons process, MTH) are used. This is the topic of this invited lecture, in which
we discuss the latest progress made in our group in understanding CO2 activation over nickel (thermocatalytic
conversion) and copper (electrocatalytic conversion), as well as the conversion of CO over cobalt (FTS), the
selective conversion of CH4 over lanthanides and CH3OH over zeolites (MTH). Special emphasis is on the
use of in-situ and operando characterization methods to elucidate reaction and deactivation mechanisms.
Prof. Bert Weckhuysen,

Distinguished University Professor, Department of Chemistry,
Faculty of Science, Utrecht University, Utrecht, the Netherlands
Web: https://bertweckhuysen.com/
Bert Weckhuysen, a Distinguished University Professor at Utrecht University (The Netherlands), received
his Master and PhD degrees from Leuven University (Belgium) in 1991 and 1995. He has worked as a postdoc
at Lehigh University (USA) and Texas A&M University (USA). He has (co-) authored ~ 700 scientific journal
publications and has received many awards, including the Royal Dutch Chemical Society Gold Medal,
Netherlands Catalysis and Chemistry Award, Emmett Award in Fundamental Catalysis, International
Catalysis Award, Bourke Award from the Royal Society of Chemistry, Spinoza Award from the Netherlands
Organization for Scientific Research, and Tanabe Prize in Acid-Base Catalysis. He is a Knight in the Order
of the Netherlands Lion, and an elected member of a.o. the Royal Dutch Academy of Sciences, Royal Flemish
Academy of Belgium for Sciences and Arts, and European Academy of Sciences.
17
Metallic 1T Phase MoS2 Cathodes for Lithium Sulfur Batteries
Manish Chhowalla
Department of Materials Science and Metallurgy, University of Cambridge
Abstract:
Here we report the realization of high-performance Li-S batteries using metallic 1T phase of two-dimensional
molybdenum disulfide as binder-free conducting cathodes for hosting sulfur. Our previous work has shown
that compact electrodes assembled from monolayered nanosheets of metallic 1T phase MoS2 are highly
conductive, lyophilic, and are catalytically active. These attributes lead to > 85% utilization of sulfur due to
improved adsorption of lithium polysulfides, enhanced Li+ diffusivity, accelerated electrochemical reaction
kinetics and superior electrocatalytic activity for polysulfide conversion. We have translated these properties
into practical pouch cells, achieving areal capacities of 8.21 ± 0.07 mAh cm-2 and capacity retention in excess
of 85% over 200 cycles. The LixMoS2-based ampere-hour-scale (1.3 ± 0.05 Ah) pouch cells can deliver
gravimetric energy density of 402 Wh kg-1 and volumetric energy density of 721 Wh L-1. These metrics
compare exceptionally favourably with current state-of-the-art in Li-S batteries. Our results provide unique
insights into new designs for Li-S cathodes based on electrocatalytically active and conducting two-
dimensional (2D) materials.
Prof. Manish Chhowalla

Department of Materials Science and Metallurgy, University of Cambridge,
27 Charles Babbage Road, Cambridge, CB3 0FS
Web: https://www.chhowalla.msm.cam.ac.uk/professor-manish-chhowalla
Manish Chhowalla is the Goldsmiths’ Professor of Materials Science at the University of Cambridge. His
research interests are in the fundamental studies of atomically thin two-dimensional transition metal
dichalcogenides (TMDs). In particular, his group studies the optical and electronic properties of different
phases of 2D TMDs. He has demonstrated that it is possible to induce phase transformations in atomically
thin materials and utilize phases with disparate properties for field effect transistors, catalysis, and energy
storage. Prof Chhowalla is a Fellow of the Materials Research Society, Institute of Physics, the Royal Society
of Chemistry and Churchill College. He was the founding Editor in Chief of Applied Materials Today and is
now the Associate Editor of ACS Nano. He has been on the Clarivate Highly Cited Researchers since 2016.
18
Flow and Extraction of Energy and Charge Carriers in Hybrid Plasmonic
Nanostructures
Suljo Linic
University of Michigan, Ann Arbor
Abstract:
Metallic plasmonic nanostructures have emerged as an important class of optically active materials. The initial interest
in these materials was based on their nano-antenna properties where these materials concentrate electromagnetic UV-
vis fields in small volumes at the surface of the nanostructure. A critical problem with using these metallic materials as
nano-antennas is that they lose a significant fraction of electromagnetic energy due to the formation of energetic
electron-hole (e-h) pairs in the nanostructures.
There has been a growing realization that the formation of energetic charge carriers in the nanoparticles opens avenues
for a number of applications, including photocatalytic chemical conversion, or any application that benefit from
conversion of light energy into electric potential or heat. At the core of these applications is the need to control the rate
of formation of energetic e-h pairs, the location of their formation, and their flow in the nanostructure. In particular,
there has been an elevated degree of interest in using hybrid nanostructures containing plasmonic nanoparticles, where
the plasmonic component controls the interaction of light with the material, while the non-plasmonic component uses
the resultant energetic carriers to perform a function.
Examples of these materials include metal-metal, metal-semiconductor or metal-molecule hybrids. The use of these
multicomponent materials introduces a number of fundamental questions related to the impact of the interface between
the plasmonic and non-plasmonic component as well as the presence of the non-plasmonic material on the optical
properties of the system, the flow of energy and excited charge carriers in the system.
I will discuss our recent work in the emerging field of hybrid plasmonic materials, focusing on the underlying physical
principles that govern the flow of energy and excited charge carriers in these systems, as well as on common
misconceptions and fundamental questions that deserve more attention and warrant additional studies.
References
1. S Linic, S Chavez, R Elias, Nature Materials, 20 (7), 916-924
2. S Chavez, U Aslam, S Linic, ACS Energy Letters 3 (7), 1590-1596, 2018
3. U Aslam, VG Rao, S Chavez, S Linic, Nature Catalysis 1 (9), 656, 2018
4. VG Rao, U Aslam, S Linic, Journal of the American Chemical Society 141 (1), 643-647, 2018
5. U. Aslam, S. Chavez, S. Linic, Nature Nanotechnology, 2017
6. C. Boerigter, U Aslam, S Linic, ACS Nano 10 (6), 6108-6115, 2016
7. S. Linic, U Aslam, C Boerigter, M Morabito, Nature Materials 14 (6), 567-576, 2015
8. A Marimuthu, J Zhang, S Linic, Science 339 (6127), 1590-1593
Prof. Suljo Linic

Martin Lewis Perl Collegiate Professor of Chemical Engineering
Associate Chair, Department of Chemical Engineering
Professor of Integrative System Design
Director, Energy Systems Engineering Program
University of Michigan
Associate Editor, ACS Catalysis
Prof. Linic received his PhD degree, specializing in surface and colloidal chemistry and heterogeneous catalysis, at the
University of Delaware in 2003. He was a Max Planck postdoctoral fellow at the Fritz Haber Institute of Max Planck
Society in Berlin (Germany), working on first principles studies of surface chemistry. He started his independent faculty
career in 2004 at University of Michigan in Ann Arbor where he is currently Martin Lewis Perl professor of chemical
engineering and energy systems engineering. He was a Hans Fischer Fellow at Chemistry Department at Technical
University, Munich from 2015 to 2019.
19
Fueling the Future
Kuo-Wei Huang
1
KAUST Catalysis Center and Division of Physical Science and Engineering, King Abdullah University of Science
and Technology, Thuwal 23955-6900, Saudi Arabia. 2Agency for Science, Technology, and Research, Institute of
Materials Research and Engineering and Institute of Sustainability for Chemicals, Energy and Environment,
Singapore 138634, Singapore.
Abstract
In 2021, the estimated world population of 7.0 billion people consumed ~14 Gtoe of energy (at an average
rate of 19.0 TW). Globally, burning of carbon-based fossil fuels supplies over 81% of the energy demand,
and hence the prospering industrial societies are responsible for the observed increase in carbon dioxide levels
form preindustrial 280 ppm to over 412.5 ppm measured last year. The constantly increasing atmospheric
CO2 concentration is highly likely to result in global warming, sea level rise and ocean acidification. To
reduce the environmental footprint of modern societies and address the limitations of fossil recourses, the
projected increase in global energy demand must go along with the implementation of low-carbon energy
production and carrier systems. In this presentation, the current energy status and future options will be
discussed and compared. It will then be concluded by introducing our research efforts in utilizing formic acid
as a NET-ZERO hydrogen/energy carrier and e-fuel.
References
1. Eppinger, J.; Huang, K.-W. “Formic Acid as a Hydrogen Energy Carrier” ACS Energy Lett. 2017, 2, 188-195.
2. Chatterjee, S.; Dutta, I.; Lum, Y.; Lai, Z.; Huang, K.-W. “Enabling Storage and Utilization of Low-Carbon Electricity: Power
to Formic Acid” Energy Environ. Sci. 2021, 14, 1194-1246.
3. Chatterjee, S.; Huang, K.-W. “Unrealistic Energy and Materials Requirement for Direct Air Capture in Deep Mitigation
Pathways” Nat. Comm. 2020, 3287.
4. Parsapur, R. K.; Chatterjee, S.; Huang, K.-W. “The Insignificant Role of Dry Reforming of Methane in CO 2 Emission Relief”
ACS Energy Lett. 2020, 5, 2881-2885.
5. Chatterjee, S.; Parsapur, R. K.; Huang, K.-W. “Limitations of Ammonia as a Hydrogen Energy Carrier for the Transportation
Sector” ACS Energy Lett. 2021, 6, 4390-4394.
6. Dutta, I; Chatterjee, S.; Cheng, H.; Parsapur, R. K.; Liu, Z.; Li, Z.; Ye, E.; Low, J.; Lai, Z.; Kawanami, H.; Loh,X. J.; Huang,
K.-W. “Formic Acid to Power towards Low-Carbon Economy” Adv. Energy Mater. 2022, 2103799
Prof. Kuo-Wei Huang

Professor of Chemistry
KAUST Catalysis Center and Division of Physical Science and Engineering
King Abdullah University of Science and Technology
Thuwal 23955-6900, Saudi Arabia
Kuo-Wei Huang received his B.S. from National Taiwan University as a Yuan T. Lee Fellow and Ph.D. from
Stanford University as a Regina Casper Fellow. Prior to joining KAUST as a founding faculty member, he
had been Assistant Professor in National University of Singapore and Goldhaber Distinguished Fellow at
Brookhaven National Laboratory. The research interests of his group include CO2 utilization, hydrogen
storage, small molecules activation (particularly on the PN3(P) ligand platform his group has developed and
pioneered) and kinetic and DFT studies of transition metal and organocatalysis. He has received numerous
awards and was recently highlighted in “Pioneers and Influencers in Organometallic Chemistry” in
Organometallics in 2020. https://doi.org/10.1021/acs.organomet.0c00056
20
Mechanistic Aspects of Methanol Electro-Oxidation Reaction Through Cyclic
Voltammetry: Is It Correct to Blame Carbon Monoxide for Catalyst Poisoning?
Pooja Deshpande1,2 and Bhagavatula L. V. Prasad*1,2,3
1
Physical and Materials Chemistry Division, National Chemical Laboratory (CSIR-NCL), Dr. Homi Bhabha Road,
Pune 411008, India.
2
Academy of Scientific and Innovation Research (AcSIR), Ghaziabad, 201002, India.
3
Centre for Nano and Soft Matter Sciences, Arkavathi, Survey No.7 Shivanapura, DasanapuraHobli Bengaluru
562162, India.
*Email:[email protected] (BLVP); Tel: +91 2025902013 (BLVP)
Abstract:
The growing and never-ending demand of energy and the current dependency on fossil fuels that have limited
resources is encouraging researchers look for alternative energy sources. Fuel cell can be considered as a best
alternative to provide solution to this problem. Here, when compared to other fuel cells, DMFC (Direct
Methanol Fuel Cell) have gained more attention because of methanol which is easy to handle, store and
transfer making DMFCs suitable for portable devices. Due to excellent catalytic activity, Pt is most widely
used as a catalyst in DMFCs.[5] However, CO which is an active intermediate formed during methanol
oxidation reaction (MOR), forms a highly stable Pt-CO complex and adsorbs on the catalyst surface reducing
the efficiency of DMFCs. Many efforts have been made to increase the efficiency of catalyst, by adding add-
atoms like Ru, Ni, Pd, Fe, Co to original Pt catalyst. Despite all this, the identification of an electro-catalyst
material that is commercially viable with consistent performance continues to be a great challenge mainly
due to our limited understanding of the exact MOR mechanism. This lack of understanding stems out from
the great deal of differences in the CV analysis for MOR. In this work, the systematic work that we did with
respect to MOR which allowed us to propose a new mechanism will be highlighted. [1,2] Furthermore, we also
developed a new criterion for testing the catalytic efficiency that is more universal than the one currently
being used. We also present some preliminary results on a new catalyst that was developed by us which
displays better efficiency and durability than the commercial Pt/C.
References:
1. Dalavi, S.B., S. Agarwal, S., Deshpande, P.S., Joshi, K. and Prasad, B. L. V. J. Phys. Chem. C 2021, 125, 7611–7624.
2. Deshpande, P.S., Chaudhary, V. R. and Prasad, B. L. V. Energy Technol., 2020, 8, Art. No. 1900955.
Prof. Bhagavatula L. V. Prasad

Director, Centre for Nano and Soft Matter Sciences (CeNS)
Chief Scientist Physical/Materials Chemistry Division National Chemical Laboratory (CSIR-NCL)
Bhagavatula L. V. Prasad obtained a Master of Science and PhD degrees in Chemistry from University of
Hyderabad. After two post-doctoral stints; one at Tokyo Institute of Technology and second at Kansas State
University, he joined NCL in 2003. In 2021 he assumed the office of Director, Centre for Soft Matter Sciences,
Bangalore. His group is active in the general area of material synthesis and in particular nanoparticles and
nanoscale materials. He has published 130 papers and has 8 international patents to his credit. He has been
admitted as Fellow of Royal Society of Chemistry (FRSC) and Fellow of the Indian Academy of Sciences
(FASc), Bangalore. Furthermore, he also received the CNR Rao National Prize for Chemical Research, MRSI-
ICSC Materials Science Annual Prize, DST-Nanomission Young Career Award, CRSI Bronze Medal, MRSI
Medal, and Scientist of the year award by NCL Research Foundation.
21
On the Efficient Transformation of CO2 to Useful Chemicals
Jorge Gascon
King Abdullah University of Science and Technology, KAUST Catalysis Center (KCC), Advanced Catalytic
Materials, Thuwal 23955, Saudi Arabia.
Abstract
The increasing global CO2 levels has led to a massive thrust in research on both Carbon Capture and Storage
(CCS) and Carbon Capture and Utilization (CCU). It has been posited that, in terms of volume, the
contribution of CCU will be significantly less as compared to CCS for avoiding CO2 emissions and achieving
the “2-degree scenario” (2DS) goals. However, what cannot be denied is that the immediate economic
potential of CCU far outweighs that of CCS especially considering the fact that large scale capital investment
is required in case of the latter.
While it is clear that CCS does need to be implemented in order to realistically achieve the 2DS goals, what
is not commonly considered is that instead of approaching CCS and CCU as two separate methods of carbon
mitigation, we should think of how CCU can, in fact, help address the problems faced for the implementation
of CCS. With research intensifying on CCU, it is not impractical to think of an economic cycle where the
profits gained from CCU can help to offset the costs of CCS if an integrated system of CCSU (Carbon Capture
Storage and Utilization) is implemented. The reuse of stored CO2 can become beneficial if consumption of
fossil fuels is greatly reduced over the next century and the stored CO2 becomes the chief feedstock for carbon-
based chemicals.
In this presentation, we will present several routes based on careful choice of catalytic components and reactor
configuration to increase selectivity and productivity in the direct hydrogenation of CO2 to methanol, light
olefins, aromatics and liquid fuels.
Prof. Jorge Gascon

Professor and Director KCC
King Abdullah University of Science and Technology
Thuwal 23955-6900, Saudi Arabia
Jorge Gascon (Huesca, 1977) received his MSc. in Chemistry in 2002 and his PhD cum laude in Chemical
Engineering in 2006, both at the University of Zaragoza (Spain). He was post-doc (2006 to 2009), Assistant
Professor (2010 to 2012), Associate Professor (2012 to 2014) and Antoni van Leeuwenhoek Professor (2014
2017) of Catalysis Engineering at TUDelft (NL). Since 2017 he is Professor and Director at the KAUST
Catalysis Center.
Gascon is a member of the board of the International Zeolite Association Commission on Metal Organic
Frameworks. He has been the recipient of the prestigious VENI (2010), VIDI (2013) and ERC Starting
(2013) personal grants and of the 2013 ExxonMobil Chemical European Science and Engineering Award.
22
Bifunctionality in Organometallic Catalysis
Jitendra Bera
Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur 208016 India E-mail:
[email protected]
Abstract
Synergic participation of two or more chemical functionalities in a catalyst is known to facilitate a difficult
chemical process. Both metal-metal and metal-ligand cooperation (MLC) strategies have been implemented
in organometallic catalysts. Cooperative participation of two metals in close proximity activates small
molecules, controls stereo-electronic factors and promotes product elimination. We earlier developed several
bimetallic constructs (M-M) and explored their catalytic utility for a wide range of organic transformation
reactions. In a new approach, synthetic catalysts are designed where a cooperating ligand in the vicinity of
metal site actively participates in bond–activation process and undergoes reversible chemical transformation
to make the catalytic process efficient and selective. Carefully designed ligand scaffolds, which hold a metal
ion and simultaneously offer a proton- responsive unit, have been devised for water activation, hydrogenation
and dehydrogenation reactions. This talk would focus on the scope of bifunctionality in organometallic
catalysis with relevant examples.
References
1. ACS Catal. 2020, 10, 11385.
2. Chem. Commun., 2021, 57, 9204.
3. Chem.Eur. J. 2021, 27, 10737.
4. J. Am. Chem. Soc. 2015, 137, 6168.
5. J. Am. Chem. Soc. 2014, 136, 13987.
6. Chem. Commun., 2021, 57, 9204-9207.
7. J. Am. Chem.Soc., 2018, 140, 8662.
Prof. Jitendra K Bera

Professor, Department of Chemistry Indian Institute of Technology Kanpur,
Kanpur 208016, India
Web: http://home.iitk.ac.in/~jbera/
Jitendra Bera received M. Sc. from University of Kalyani in 1993 and Ph. D. from Indian Institute of Science,
Bangalore in 1999. After a couple of postdoctoral stints, he joined the faculty at IIT Kanpur in 2003, where
he is currently serving as Chair Professor. He is elected fellows of three National Science Academies (FASc,
FNASc, FNA) and recipient of J C Bose National Fellowship. His research in the field of Organometallic
Chemistry has earned him several awards and recognitions including Outstanding Investigator Award (2015)
by DAE), Swarnajayanti fellowship (2009) and Ramanna Fellowship (2007) by DST, and Silver medal
(2020) and Bronze medal (2012) by Chemical Research Society of India (CRSI). He received C. N. R. Rao
National Prize (2018) in Chemical Sciences. He is currently serving as an Associate Editor, Applied
Organometallic Chemistry (Wiley), Member: Editorial Advisory Board of Organometallics (American
Chemical Society), Dalton Transactions (Royal Society of Chemistry), Member of the International Advisory
Board of the International Conference in Organometallic Chemistry (ICOMC). Bera's research interests span
synthetic, structural and mechanistic organometallic chemistry and addresses energy, environmental and
sustainability aspects of chemical synthesis.
23
Synthesis of Near Infrared Plasmonic Nanoparticles for Hydrogen Evolution
Toshiharu Teranishi
Institute for Chemical Research (ICR), Kyoto Universituy, Kyoto, Japan.
Abstract
Localized surface plasmons excited by the collective oscillation of free carriers in the nanostructures not only
induce strong photoelectric fields near the nanostructure surface, but also enable carrier transfer to nearby
substances. In this work, we designed and synthesize inorganic nanoparticles that exhibit localized surface
plasmon resonance in the near-infrared region.1,2 Then, the partial ion exchange reactions were carried out
to convert these nanoparticles into heterostructures for realizing long-lived spatial charge separation.3-6
Finally, we applied the heterostructured nanoparticles to hydrogen evolution catalysts using near-infrared
localized surface plasmon resonance.7
References
1. M. Kanehara, H. Koike, T. Yoshinaga, T. Teranishi, J. Am. Chem. Soc., 2009, 131, 17736–17737
2. M. Kanehara, H. Arakawa, T. Honda, M. Saruyama, T. Teranishi, Chem. Eur. J., 2012, 18, 9230–9238
3. H.-L. Wu, R. Sato, A. Yamaguchi, M. Kimura, M. Haruta, H. Kurata, T. Teranishi, Science, 2016, 351, 1306–1310
4. Z. Lian et al., Nat. Commun., 2018, 9, 2314
5. M. Saruyama, R. Sato, T. Teranishi, Acc. Chem. Res., 2021, 54, 765–775
6. Z. Li, M. Saruyama, T. Asaka, Y. Tatetsu, T. Teranishi, Science, 2021, 373, 332–337
7. Z. Lian et al., J. Am. Chem. Soc., 2019, 141, 2446–2450
Prof. Toshiharu Teranishi

Professor,
Institute for Chemical Research,
Kyoto University, Kyoto
Web: https://www.scl.kyoto-u.ac.jp/~teranisi/index_E.html
Prof. Teranishi received his PhD from The University of Tokyo under the direction of Prof. Naoki Toshima
in 1994, and spent seven and a half years at Japan Advanced Institute of Science and Technology as an
Assistant Professor and an Associate Professor. In 2004, he moved to University of Tsukuba as a Full
Professor, and moved to Kyoto University in 2011. His current research interests include precise structural
control of inorganic nanomaterials and structure-specific functions for high-performance devices and photo-
energy conversion. In 2021, he was admitted as a Fellow of the Royal Society of Chemistry (RSC), United
Kingdom. Currently, he is serving as an Associate Editor of Chemical Science (RSC), a vice president of the
Society of Nano Science and Technology, Japan, and an associate member of Science Council of Japan.
24
‘Hot Carriers’ and ‘Hot Surfaces’: The Two Faces of Plasmons in Chemical
Transformations
Pramod P. Pillai
Department of Chemistry, Indian Institute of Science Education and Research
(IISER) Pune, Dr. Homi Bhabha Road, Pashan, Pune, India.
Abstract
Forming and breaking of high energy chemical bonds with plasmons is an emerging paradigm in catalysis.1 A
photoexcited plasmonic nanoparticle (NP) can initiate a series of decay pathways via radiative and non-
radiative processes, resulting in unique plasmonic outcomes. Each of these intriguing relaxation processes
has earned them a special place in the areas of nanophotonics, photocatalysis, and thermoplasmonics. Our
group is interested in ‘selectively’ channelizing the hot-charge carriers as well as the heat generated in
plasmonic NPs, for fuelling important chemical and physical transformations. In one set of studies, we have
developed a ‘ligand directed’ approach to control the NP-reactant interactions, resulting in the desired
outcome from a NP catalysed reaction.2,3 This ‘ligand directed catalysis’ approach was successfully
demonstrated in a series of reduction reactions including nitro to amine conversion, ferricyanide reduction,
and cofactor regeneration. Likewise, the reaction conditions were fine-tuned to efficiently utilize the
thermoplasmonic heat generated from NPs, for performing thermally driven polymerization, solar-vapor
generation, organic reactions, and crystal-to-crystal transformation processes.4,5 In short, hot-charge carriers
and heat are the two faces of plasmons, which when used properly can bring out the desired outcome in
chemical and physical transformations.
References
1. Linic, S.; Christopher, P.; Ingram, D. B. Nature Mater. 2011, 10, 911–921.
2. V. Jain, R. K. Kashyap, P. P. Pillai, Adv. Opt. Mater. 2022, 10, 2200463.
3. S. Roy, V. Jain, R. K. Kashyap, A. Rao, P. P. Pillai, ACS Catal. 2020, 10, 5522.
4. R. K. Kashyap, I. Dwivedi, S. Roy, S. Roy, A. Rao, C. Subramaniam, P. P. Pillai, Chem. Mater. 2022, 34, 7369.
5. R. K. Kashyap, M. J. Parammal, P. P. Pillai, ChemNanoMat 2022, 8, e202200252.
Prof. Pramod P. Pillai

Department of Chemistry,
Indian Institute of Science Education and Research
(IISER) Pune, Dr. Homi Bhabha Road, Pashan, Pune,
India.
Web: www.pramodpillai.com
Prof. Pramod Pillai is an Associate Professor in the Department of Chemistry at Indian Institute of Science
Education and Research (IISER) Pune, India. Prof. Pillai obtained his Ph.D. in 2008 under the supervision
of Prof. K. George Thomas at the National Institute for Interdisciplinary Science and Technology (NIIST)
Trivandrum, India. Prior to joining IISER Pune in June 2014, Prof. Pillai was a postdoctoral fellow in the
group of Prof. Bartosz A. Grzybowski at Northwestern University, Evanston, USA (2011-2014), and an
Alexander von Humboldt postdoctoral Fellow at Technische Universität in Dortmund, Germany with Prof.
Christof M. Niemeyer (2008-2010). Currently, Prof. Pillai’s research at IISER Pune is focused on controlling
the interplay of forces to improve and impart newer properties at the nanoscale. Some of the properties of
interest include light harvesting, catalysis, and self-assembly in hybrid nanomaterials.
25
Extracting Charge Carriers from Plasmonic Nanocomposites for Photocatalysis
Vishal Govind Rao
Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur, 208016, UP, India.
Abstract
The strong interaction of plasmonic nanostructures with electromagnetic radiation, subdiffraction-limit field
localization, and unusually high field enhancement present immense opportunities to harness visible light in
photocatalysis.1-3 Plasmon-induced energetic charge carriers allow the manipulation of a catalytic reaction's
selectivity, a holy grail of thermal catalysis. However, inducing these reactions using light is challenging due
to the exceedingly short lifetimes of energetic charge carriers formed in metal nanoparticles. Therefore,
strategic changes in the design principles of hybrid plasmonic nanocomposites to generate highly localized
charge carriers at the catalytic site are imperative for hot electrons (holes) transfer to reactants or short-lived
reaction intermediates. Here, we will present various examples of hot charge carrier extraction and recent
advancements in catalysis. We will explore different nano-heterointerfaces through which energetic charge
carriers can be localized to the catalytic sites.4-6 We also highlight some critical parameters that must be
considered to address the limitations and introduce new possibilities to the field.
References
1. U. Aslam, V. Govind Rao, S. Chavez, S. Linic, Nature Catalysis, 2018, 1, 656–1665.
2. M. Ahlawat, D. Mittal, V. Govind Rao, Communications Materials, 2021, 2, 114.
3. S. Swaminathan, V. Govind Rao, J. K. Bera, M. Chandra, Angew. Chem. Int. Ed., 2021, 60, 12532–12538.
4. V. G. Rao, U. Aslam, S. Linic, J. Am. Chem. Soc., 2019, 141, 643–647.
5. M. Ahlawat, A. Roy, V. Govind Rao, ChemNanoMat, 2022, 8, e202100416.
6. D. Mittal, M. Ahlawat, and V. Govind Rao Adv. Mater. Interfaces, 2022, 9, 2102383.
Prof. Vishal Govind Rao

Assistant Professor,
Indian Institute of Technology Kanpur (IIT
Kanpur), Kanpur, E-mail: [email protected]
Web: https://vgrresearchpage.myfreesites.net/
Dr. Vishal Govind Rao joined the Department of Chemistry at the Indian Institute of Technology, Kanpur,
in 2019 as an Assistant Professor. Previously he was a postdoctoral fellow in the Department of Chemical
Engineering at the University of Michigan and the Department of Photochemical Sciences at Bowling Green
State University. He received his Ph.D. in 2013 from the Department of Chemistry, Indian Institute of
Technology, Kharagpur. His lab seeks to understand the fundamental properties of photocatalytic materials
that affect their catalytic efficiency. Working on plasmonic photocatalysis, perovskite catalysis, interfacial
charge transfer dynamics, efficient solar energy utilization strategies, and carbon dioxide reduction into
hydrocarbon fuels, his group probes the interface dynamics of charge/energy transfer to improve the catalytic
yield while ensuring the process remains cost- effective. He is currently an Editorial Board Member of
Communications Materials – Nature. He is also an Associate Editor for Photocatalysis and Photochemistry,
a section of Frontiers in Chemistry.
26
Plasmonic and Photonic Catalysts for Solar to Chemical Energy Conversion
Emiliano Cortes
Nanoinstitute Munich, Faculty of Physics, University of Munich (LMU), 80539 Munich, Germany
.
Abstract
The use of plasmonics and photonics to control light and heat close to the thermodynamic limit enables
exciting opportunities for nanoscale energy conversion. The efficient harvesting and conversion of photons
into photons of a different energy, phonons or energetic charge carriers open up a myriad of opportunities for
converting, for example sunlight into fuels, heat and light. By employing artificially structured materials
(metamaterials), hybrid plasmonic colloids, dielectric nanoresonators or engineered metal nanoantennas, I
will show some of our most recent efforts for converting sunlight into chemical energy by controlling, tuning
and enhancing light-matter interactions [1-7].
References
1. E. Cortes, et al, Chem. Rev. ASAP, (2022)
2. E. Cortes, et al, Nat. Rev. Chem. 6, 259–274, (2022)
3. S Ezendam, et al, ACS Energy Letters, 7, 778-815 (2022)
4. M. Herran, et al, Adv. Funct. Mat., 2203418 (2022)
5. H. Hu, et al, ACS Nano 16, 8, 13057–13068 (2022)
6. A. Stefancu, et al, ACS Photonics, 9, 3, 895–904 (2022)
7. A.Stefancu, et al, Adv. Opt. Mat., 2200397 (2022)
Prof. Emiliano Cortes

Nanoscale Energy Conversion Faculty of Physics
University of Munich (LMU)
W: www.hybridplasmonics.org
E: [email protected]
T: @HybridNano
Since December 2018, Emiliano holds a Professor position at the Faculty of Physics in the University
of Munich (LMU), Germany and he is the academic lead of the Nanoscale Energy Conversion Group. He is
also a visiting researcher at the Physics Department, Imperial College London, UK. His research interests
lie at the interface between chemistry and physics, focusing on the development of novel nanomaterials
and techniques for applications in nanoscale energy conversion, photocatalysis, electrocatalysis and
sensing. Emiliano studied chemistry at the National University of La Plata in Argentina. He was one
of the founders of Nanodetection, a start-up company based on plasmonic sensing. In 2018, he was
awarded with the €1.5M ERC Starting Grant from the European Commission for his project
CATALIGHT. He is currently a PI of the German excellence research cluster e-conversion and co-
coordinator of its graduate program, scientific board member in the Center for NanoScience (CeNS) in
Munich, member of the Bavarian Program Solar Technologies go Hybrid (SolTech), and fellow of the Young
Academy of Europe. Emiliano is also co-editor of the first book in Plasmonic Catalysis (Wiley, Apr.
2021).
27
Manufacturing Fuels and Chemicals Using Light
Prashant K. Jain
Department of Chemistry, Materials Research Laboratory, and Beckman Institute for Advanced Science and
Technology, University of llinois Urbana-Champaign, Urbana, IL 61801, United States
Abstract:
My laboratory is exploring green routes to the synthesis of fuels and valuable chemicals using visible light.
This technology relies on metal nanostructures that function as visible-lightharvesting antenna that
concentrate light down to the nanoscale in the form of collective electronic oscillations. This concentrated
source of energy drives multielectron, bond breaking, and bond formation reactions on the surface of the metal
nanostructure. A striking example of this phenomenon is the conversion of CO2 to form C1–C3 hydrocarbons
on gold nanoparticles under visible light. I will describe the use of concentrated light for i) achieving important
transformations using milder conditions ii) altering the inherent catalytic properties of a metal and modulating
product selectivity, iii) driving thermodynamically uphill reactions where free energy is harvested from light
and stored in the form of energy- rich bonds, and iv) boosting electroconversion.
Prof. Prashant K. Jain
Professor & University Scholar,

University of Illinois Urbana-Champaign, Il
My research focuses on the interaction of light with engineered nanostructures. The central goal is to use
light in unique ways to: i) study and control the transport of energy and matter on the nanoscale, or ii) to
induce unconventional optoelectronic or photochemical behavior in matter. In recent years, we have
uncovered emergent chemistry driven on plasmonic nanoparticles under light. We have discovered that
plasmonic excitation enhances reactivity and/or modulates selectivity in redox and electrochemical
reactions, including CO2 reduction, ethylene oxidation, NH3 oxidation, and methanol oxidation and drives
thermodynamically uphill photosynthetic reactions. My laboratory has expertise in nanocrystal synthesis
and assembly, optical spectroscopy and microscopy, single-molecule-level imaging and vibrational
spectroscopy, computational electrodynamics, solid-state electronic structure calculations, in-situ electron
microscopies, electrochemical studies, and photochemical reaction studies.
28
Landscaping Porous Morphologies
Rahul Banerjee
Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur Campus,
Mohanpur 741 252
Abstract:
Covalent Organic Frameworks (COFs) represent a new class of highly porous, crystalline polymers with uniformly
arranged ordered pore channels. Even though COFs have been used for storage of a wide variety of molecular species
like gases, nanoparticles, enzymes and drugs; the benefits of their ordered pore channels for molecular separation is
hardly extracted. The key issue behind this problem is the difficulty of fabricating COF particles into a self-standing,
stable membrane form. Apart from the processability, the other formidable obstacle that prevents utilization of COFs
in real life applications are i) chemical stability, ii) difficult synthetic procedures, and iii) scalability. In this context,
we have successfully overcome the chemical stability problem of COFs, by synthesizing β-ketoenamine based
frameworks. Irreversible enol to keto tautomerism resulted in phenomenal stability within the frameworks. While
processability, synthetic hurdles, and scalability of COFs still remain unexplored. In order to address these key issues,
we have developed a very simple, scalable and novel methodology by which COFs can be synthesized by simple
mixing and heating of the reactants. Using this method COF can be processed in to self-standing covalent organic
framework membranes (COMs). The resultant COMs display higher porosity and crystallinity over their reported
powder form. These self-standing COMs are flexible, continuous, devoid of any internal defects or cracks, show long-
term durability. It retains structural integrity in water, organic solvents and even in mineral acid (3 N HCl). We have
utilized these COMs for separation applications such as waste water treatment and recovery of valuable active
pharmaceutical ingredients [APIs] from organic solvents. Our result highlight, that COMs could satisfactorily address
world’s most challenging separation problems including waste water treatment, drug recovery from organic solvents
in pharma industries.
Prof. Rahul Banerjee

Department of Chemical Sciences,
Indian Institute of Science Education and Research (IISER) Kolkata
Prof. Rahul Banerjee received his PhD degree from University of Hyderabad, India, in 2006. After a
postdoctoral work at UCLA, he joined CSIR-National Chemical Laboratory in Pune, India, as a Scientist.
Prof. Banerjee is currently an Professor at the Indian Institute of Science Education and Research (IISER)
Kolkata, India. His research interests include the study of structural chemistry with the flavor of chemical
synthesis to design new porous materials. His group at IISER-Kolkata is currently working with the Gas
Authority of India Limited and TATA Steel towards a bulk production of these porous materials. Apart from
the gas storage application, his group was further able to utilize the ordered pores of COFs for gas and liquid
separation application, by making the first COF membranes. Since 2010, Prof. Banerjee has published over
160 publications [H index 79] and has 24 patents applications, from CSIR-National Chemical Laboratory
and IISER, Kolkata, on various porous framework materials.
29
Post-Modified MOF as Photocatalyst towards CO2 Reduction to Fuel
Tapas Kumar Maji
Molecular Materials Laboratory, Chemistry and Physics of Materials Unit, School of Advanced Materials (SAMat),
Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore-560064, India
Abstract
Sunlight-driven CO2 reduction is a promising route for the production of chemical feedstocks as a fuel
precursor to mitigate the CO2 concentration in the atmosphere and also to alleviate the global energy crisis.
[1-5]
Nature's design of carrying out the photosynthetic redox cycle involving CO2 and water inspired us to
develop highly efficient integrated catalytic systems for artificial photosynthesis by avoiding strict conditions
or the addition of external additives (Scheme 1). The versatile and highly amenable structural tunability of
metal-organic frameworks (MOFs) by post-synthetic modification (PSM) allows tailoring inherent
properties, including semiconducting and optoelectronic properties, compared to traditional inorganic
semiconductors. Besides, PSM is an excellent choice to introduce a functional photosensitizer into the MOF
matrices to galvanize the electronic and optical properties for photocatalytic CO2 reduction.[1-2] Our presented
results demonstrated an excellent approach to carbon neutralization for tackling the energy crisis by imitating
natural photosynthesis. [1-5] My talk will focus on developing integrated photocatalytic systems through post-
synthetic modification of MOFs for CO2 reduction to CO, CH4, MeOH and C2 based oroduct like CH3COOH
under visible light / direct sunlight in aqueous medium.
Scheme 1. MOFs towards visible-light-driven CO2 reduction to different feedstocks.

References
1. S. Karmakar, S. Barman, F. Ahamed Rahimi, T. K. Maji, Energy Environ. Sci., 2021, 14, 2429
2. S. Karmakar, S. Barman, F. Ahamed Rahimi, D. Rambabu S. Nath, T. K. Maji, 2022 (under Revision)
3. P. Verma, A. Singh, F. A. Rahimi, P. Sarkar, S. Nath, S. K. Pati, T. K. Maji, Nature Commun. 2021, 12, 7313
4. P. Verma, F. A. Rahimi, D. Samanta. A. Kundu, J. Dasgupta, T. K. Maji, Angew. Chem. Int. Ed., 2022, 61, e202116094
5. S. Barman, A. Singh, F. A. Rahimi, T. K. Maji, J. Am. Chem. Soc., 2021, 143, 16284
Prof. Tapas Kumar Maji

Professor, Chemistry and Physics of Materials Unit
School of Advanced Materials (SAMat)
Jawaharlal Nehru Centre for Advanced Scientific Research,
Jakkur, Bangalore-560064
Web: www.jncasr.ac.in/tmaji
Tapas K Maji obtained his PhD in 2002 from Indian Association for the Cultivation of Science (IACS),
Kolkata. After a postdoctoral stint at Kyoto University, he joined Jadavpur University. Then he moved to
Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Bangalore. Currently, he is a
professor in the Chemistry and Physics of Materials Unit at JNCASR. His current research interest focuses
on the design and synthesis of bulk and nanoscale metal–organic frameworks (MOFs) and organic porous
polymers for energy-storage and harvesting, carbon capture and reduction and adsorptive based separation
of different chemical feedstocks. He also works on ‘soft’ hybrid materials, like coordination polymer gels.
30
Expanding the Scope of CO2 Functionalization: A Metal-free Approach
Swadhin K Mandal
Indian Institute of Science Education and Research Kolkata Mohanpur -741246
Abstract:
Because of the ever-increasing emission of CO2 into our atmosphere, it is imperative that the world looks
towards a portfolio of carbon mitigation solutions, rather than a single strategy. Not surprisingly, continuous
efforts are required to find solutions to address the issue of excessive CO2 emission and its potential effects
on climate change. In this regard, the use of CO2 as a C1 source is considered an attractive strategy as CO2
has the potential to be a great asset for the industrial sector. With particular emphasis, the reduction of CO2
offers an alternative to fossil fuels for various organic industrial feedstocks and fuels. As a result, efficient
approaches to the reduction of CO2 in products such as methanol can generate value out of its emissions.
Accordingly, in recent years, metal-free catalysis has emerged as a sustainable approach because of the mild
reaction conditions by which CO2 can be reduced and functionalized to various value-added products. The
metal-free catalytic reduction of CO2 offers an alternative opportunity for the development of chemical
processes with low cost, earth-abundant, non-toxic reagents, and low carbon footprint. In this talk, I will brief
about our recent efforts in developing metal-free catalysts for catalytic reductive functionalization of CO2.
References:
1. Sreejyothi, P and Mandal, S. K. Chemical Science 2020, 11, 10571-10593
2. Sau, S. C., Hota, P. K.; Mandal, S.K; Soleilhavoup, M.; Bertrand, G. Chem. Soc. Rev. 2020, 49, 1233-1252
Prof. Swadhin Mandal
Professor, Department of Chemical Sciences,

IISER Kolkata.
Swadhin K. Mandal is currently a professor at the IISER, Kolkata. He obtained his doctoral degree under the
supervision of Prof. S. S. Krishnamurthy at the Indian Institute of Science, Bangalore. He has been a
postdoctoral fellow at the University of California, Riverside, USA, with Prof. Robert C. Haddon and an
Alexander von Humboldt fellow at the University of Göttingen, Germany, with Prof. Herbert W. Roesky. He
holds the position of Visiting Professor at IIT Bombay and he has been recently awarded the Erna and Jakob
Michael Visiting Professorship at the Weizmann Institute of Science, Israel. His current research interests
include organometallic catalysis using base metals and main-group metals, electron transfer catalysis in
organic transformation, metal-free CO2 fixation and its conversion into value-added chemicals. He has served
as an international editorial advisory member of Organometallics and Inorganic Chemistry. Currently, he is
an advisory board member in Chemical Science. He was a recipient of the Young Investigators Meeting
Boston award in 2012. He was awarded the Friedrich Wilhelm Bessel Research Award, 2020 by the Alexander
von Humboldt Foundation, Germany. He is the recipient of the Shanti Swarup Bhatnagar Prize in Chemical
Sciences for 2018. He has also received the SERB Distinguished Investigator award. He is a fellow of the
Indian Academy of Sciences and the Royal Society of Chemistry.
31
Plasmonic Black Gold-Nickel (Antenna-Reactor) for Storing Solar Energy into Carbon
Dioxide
Vivek Polshettiwar
Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), Mumbai, India.
Abstract
Conventional plasmonic “antenna-reactor” catalyst designs consist of plasmonic metal nanoparticles with
the limited light-harvesting ability of a specific narrow band wavelength. Ideally, the antenna should be a
material that can absorb the broadband solar spectrum so that more photons get harvested and, in turn,
generate more hot spots and hot electrons, both of which can be used for catalysis. A fantastic choice would
be dendritic plasmonic colloidosomes (DPCs)3, also referred to as "black gold", a recently reported novel
material from our group. Black gold absorbs all visible and near-infrared light due to its heterogeneous
particle size distribution and interparticle lengths of Au nanoparticles on nanosilica (DFNS)4,5.
In this work, we have synthesized black gold loaded with nickel sites (DPC-C4-Ni). Under light
excitation, DPC-C4-Ni shows a very high photocatalytic CO production rate (2464 ± 40 mmol gNi-1 h-1) with
95 % CO selectivity. Notably, the reaction was carried out in a flow reactor at low temperature and
atmospheric pressure without external heating. The photocatalyst was stable for 100 h. The photocatalytic
CO2 hydrogenation reaction mechanism was further explored by using i) finite-difference time-domain
simulations (FDTD), ii) light intensity-dependent production rate, and iii) in-situ diffuse reflectance infrared
Fourier transform spectroscopy (DRIFTS) study.
References
1. Aslam, U., Rao, V. G., Chavez, S., Linic, S. Catalytic conversion of solar to chemical energy on plasmonic metal
nanostructures. Nat. Catal. 1, 656-665 (2018)
2. Verma, R., Belgamwar, R., Polshettiwar, V. Plasmonic Photocatalysis for CO2 Conversion to Chemicals and Fuels. ACS
Mater. Lett. 3, 574–598 (2021).
3. Dhiman, M., Maity, A., Das, A., Belgamwar, R., Chalke, B., Lee, Y., Sim, K., Nam, J. –M., Polshettiwar, V. Plasmonic
colloidosomes of black gold for solar energy harvesting and hotspots directed catalysis for CO2 to fuel conversion. Chem.
Sci. 10, 6594-6603 (2019).
4. Maity, A., Belgamwar, R., Polshettiwar, V. Facile synthesis to tune size, textural properties and fiber density of dendritic
fibrous nanosilica for applications in catalysis and CO2 capture. Nat. Protoc. 14, 2177-2204 (2019).
5. Polshettiwar, V. Dendritic Fibrous Nano-Silica (DFNS): Discovery, Synthesis, Formation Mechanism, Catalysis, and CO2
Capture-Conversion. ACS Accounts of Chemical Research, 55, 1395–1410 (2022).
Prof. Vivek Polshettiwar

Associate Professor,
Tata Institute of Fundamental Research (TIFR), Mumbai
Web: www.nanocat.co.in
Prof. Vivek Polshettiwar, after his Ph.D. in 2005, worked as a postdoc in France and USA for a few years
before starting his own independent group at KAUST. In 2013, he moved to TIFR, and his group is working
on the development of novel nanomaterials as catalysts to tackle “climate change”. He is the recipient of the
prestigious ORISE Research Fellowship at US-EPA. He also received an Asian Rising Star lectureship at
15th Asian Chemical Congress (ACC), Singapore (2013), from Nobel Laureate Professor Ei-ichi Negishi. In
2015, he was admitted as a Fellow of the Royal Society of Chemistry (RSC), United Kingdom. He was
awarded a Bronze medal by the Chemical Research Society of India (CRSI), India. He was awarded the
prestigious Materials Research Society of India - MRSI Medal 2019. He was elected a Fellow Maharashtra
Academy of Sciences in 2019. In 2020, he received Young Research Awards in Nano Science & Technology
from the Department of Science & Technology (DST), Gov. of India. In 2021, he was elected as a Fellow
National Academy of Sciences, India (NASI).
32
Buckling and Defects in Two - Dimensional Atomically Thin
Monolayers
Ayan Datta
School of Chemical Sciences, Indian Association for the Cultivation of Science (IACS), Kolkata –
700032, INDIA.
E – mail: [email protected]
Abstract
Graphene has emerged as one of the most fascinating areas of research in condensed matter and materials
science. Apart from graphene, several other 2D analogues like silicene, phosphorene, MXenes, MoS 2,
germanene have been recently isolated and characterized. One unifying theme among these new materials is
that unlike graphene, they are non-planar. Pseudo Jahn-Teller (PJT) distortions is shown as a central unifying
concept that explains the overall structural preferences of these systems. The extent of buckling also leads to
interesting and emerging phenomenon like phase-transitions into Topological Insulators from normal semi-
metal due to spin-orbital coupling (SOC). The effect of PJT in bestowing structural diversity and novel
electronic and spin phases in 2D-monoatomic layers will be discussed in this lecture. How to utilize them for
CO2 conversion to useful chemicals will envisioned.
References
1. S. Mondal, Ayan Datta, J. Am. Chem. Soc. 2022, ASAP: 10.1021/jacs.2c05942.
2. T. K. Mukhopadhyay, L. Leherte, Ayan Datta, J. Phys. Chem. Lett., 2021, 12, 1396 - 1406.
3. T. Teshome, Ayan Datta, J. Phys. Chem. C 121, 15169-15180 (2017).
4. C. Chowdhury, Ayan Datta, J. Phys. Chem. Lett. (Perspective), 8, 2909-2916 (2017).
5. T. K. Mukhopadhyay, Ayan Datta, J. Phys. Chem. C 121, 10210-10223 (2017).
6. A. Nijamudheen, R. Bhattacharjee, S. Choudury, Ayan Datta, J. Phys. Chem. C 2015, 119, 3802.
7. D. Jose, Ayan Datta, Acc. Chem. Res. 2014, 47, 593.
Prof. Ayan Datta

Professor,
School of Chemical Sciences,
IACS
Web: http://iacs.res.in/faculty-profile.html?id=69
Prof. Ayan Datta, after his Ph.D. in 2007, worked as a postdoc in USA for a few years before starting his own
independent group at IISER TVM. In 2012, he moved to IACS, and his group is working on the development
of computational models for energy and environment. He is the recipient of the INSA Young scientist award
and BM Birla Prize in Chemistry. He was also awarded the distinguished investigator award (DIA) by DST-
SERB in 2017. He was awarded a Bronze medal by the Chemical Research Society of India (CRSI), India.
33
Shifting Towards Solar Energy-Systematic Designing of Catalysts for
Sustainable Energy Conversion
Aditi Halder
School of Chemical Sciences,Indian Institute of Technology,Mandi, India
*E-mail: [email protected]
Abstract
Abundant and inexhaustible solar energy gives us the hope against the non-renewable fossil fuel-based
processes. To achieve the sustainable development goals depicted by the United Nations, we need to shift
completely on the solar energy for the energy production process. Thus, now more than ever, it is important
to investigate and innovate many ways to utilize solar energy for various energy intensive processes.
Unfortunately, the number of photocatalyst which can utilize the entire solar spectrum and satisfy all the
requirement is still very few. It is highly desirable to analyze and understand the strategies earlier used to
design and modify catalyst surface in order to increase the active sites, to enhance the light-harvesting
capability, and photogenerated charge carrier lifetime. In our group, we have tried to augment both
electrochemistry and photocatalysis to improve the efficiency of the photoelectrochemical devices for both
energy conversion and storage. The talk will also give an example where the intermittent nature of
photocatalyst could be improved by using the principle of “persistent photoconductivity”. Overall, the talk
will also provide an ensight about the different strategies to improve the efficiency of photoelectrochemical
processes.
References
1. R Kaushik, PK Singh, A Halder, Catalysis Today, 2022, 384, 45-69,
2. A Mathur, R Kaushik, A Halder, Materials Today Energy, 2021, 19, 100612
Prof. Aditi Halder

Indian Institute of Technology Mandi
Web: https://sites.google.com/site/renewableenergyforgreenere arth/home
Dr. Aditi Halder is an associate professor at School of Basic Sciences in Indian Institute of Technology,
Mandi. After finishing her PhD from Materials Research Centre (MRC) at Indian Institute of Science,
Bangalore, she joined as post-doctoral fellow at Northeastern University Center for Renewable Energy
Technology and later NSF Center for Nanomanufacturing. She joined Indian Institute of Technology, Mandi
in 2014 as an assistant professor and started her research group “Functional Nanomaterials for Renewable
Energy”. Her research interests expand in the domain of renewable energy for energy conversion for fuel cell
and electrolyzer, energy storage-metal ion batteries, electrochemical carbon dioxide conversion and
environmental pollutant degradation by integrating nanotechnology and electrochemistry.
34
An Overview of the CSIR’s Efforts for Indigenizing the PEM Fuel Cell
Technology from Sub-Component Development to System Level
Demonstrations
Sreekumar Kurungot
Physical & Materials Chemistry Division, CSIR-National Chemical Laboratory, Pune, 411008, India
Abstract
Considering the fact that it is an opportune time to bring India to a leadership position in the global hydrogen
map, the Council of Scientific and Industrial Research (CSIR) has recently initiated a Hydrogen Mission
program targeting the indigenization of the various components and systems, and enabling the Indian
ecosystem for establishing hydrogen economy. CSIR is active in all three parts of the hydrogen value chain,
viz. hydrogen generation, hydrogen storage/supply/distribution, and hydrogen utilization. Among the key
hydrogen energy technologies, CSIR has already made a remarkable achievement in the area of building and
demonstrating polymer electrolyte membrane fuel cells (PEMFCs) for both stationary and automotive
applications. A few representative examples of the key outcomes of CSIR’s PEMFC programs that have
caught media attention include India’s first indigenous fuel cell car and bus, an indigenous 2.5 kW power
generation unit for telecom towers and a 5 kW HT-PEMFC-based Combined Cooling & Power (CCP) system.
All these programs were evolved by maintaining an effective balance between deep science and technology
demonstrations with close collaboration with industries, which ensured an increase in TRL and time-bound
delivery. A significant level of indigenization has been achieved in the case of the development of the key
components such as electrocatalysts, proton conducting membranes, electrodes, membrane electrode
assemblies and stacks along with the other critical components. The talk will provide an overview of our
ongoing efforts on the PEMFC development by highlighting the key aspects involving scientific innovations
targeted for the indigenization of the technology. The presentation will also touch upon some technology
demonstrations related to CSIR’s efforts on PEMFC development, which involve the development of various
components to stacks followed by commercial level validations with the help of the partnering industries.
Dr. Sreekumar Kurungot

Senior Principal Scientist
Physical & Materials Chemistry Division
CSIR-National Chemical Laboratory (CSIR-NCL), Pune
Web: academic.ncl.res.in/k.sreekumar
Dr. Sreekumar received his PhD in Chemistry from Cochin University of Science & Technology, India, in 2000.
Subsequently, he worked as a Post-Doctoral Researcher in Korea Institute of Science & Technology, S. Korea
(2000-2001) and University of Tokyo, Japan (2001-2003). After working as a Scientist in the Fuel Cell
Development Division of Toyota Motor Corporation, Japan (2003-2007), Dr. Sreekumar joined as a scientist in
CSIR-NCL in 2007. His areas of research primarily include materials and systems for electrochemical energy
applications. He is working extensively in the areas of polymer electrolyte membrane fuel cells, solid-state charge
storage, metal-ion batteries, metal-air batteries and electrochemical hydrogen generation reactions. He has more
than 230 publications and 20 patent applications to his credit. Dr. Sreekumar is serving as an Associate Editor for
RSC Advances from 2015 onwards. He is also contributing as an Editorial Advisory Board Member of ACS
Applied Materials & Interfaces from 2020 onwards. He was also the recipient of the MRSI Medal in 2019.
35
Addressing Plasmonic Catalysis with Designer Nanomaterials
Pedro Camargo
Department of Chemistry, University of Helsinki, Finland
Abstract
This talk will cover recent developments from our group on the solution-phase synthesis of well- defined
plasmonic and plasmonic-catalytic hybrid nanoparticles (NPs) and their use to gain an understanding on
structure-performance relationships in plasmonic catalysis.1 We will highlight how hybrid materials
containing both catalytic and plasmonic components enable one to extend the use of plasmonic catalysis to
metals or oxides that are important in catalysis but do not support LSPR excitation in the visible or near-
infrared range. Examples of hybrid materials containing ultralow loadings of the catalytic metal as well as the
control over reaction selectivity under visible light excitation, which remains a crucial challenge in plasmonic
catalysis, will be discussed. Finally, the use of greener materials in plasmonic catalysis will be introduced.2
References
1. Silva, A. G. M.; Rodrigues, T. S.; Wang, J.; Camargo, P. H. C. Chemical Communications, 58, 2055 (2022).
2. Quiroz, J.; de Oliveira, P. F. M.; Shetty, S.; Oropeza, F. E.; de la Peña O'Shea, V. A.; Rodrigues, L. C.
V.; Rodrigues, M. P. S.; Torresi, R. M.; Emmerling, F.; Camargo, P. H. C. ACS Sustainable Chemistry &
Engineering, 2021, 9, 9750.
Prof. Pedro Camargo

Professor,
Department of Chemistry, University of
Helsinki, Finland Email:
[email protected]
Web: camargolab.com, @CamargoLab
Prof. Pedro Camargo received his Ph.D. from Washington University in Saint Louis in 2009, working in the
group of Prof. Younan Xia. He became an Assistant Professor at University of Sao Paulo (Brazil) in 2011 and
was promoted to Associate Professor in 2015 and to Professor in 2018. In 2019, he relocated to a Professor
position at the University of Helsinki, Department of Chemistry. His interests include addressing challenges
in sustainability with designer nanomaterials and light. His team develops nanoparticles marrying catalytic
and optical properties to enable the next generation of molecular transformations driven by visible light and
under mild conditions. He serves as an Editor of the Journal of Materials Science and as the director of the
Master's Program in Materials Research at the University of Helsinki. He has been featured as an Emerging
Investigator in the 2017 special issues of Chemical Communications and the Journal of Materials Chemistry
A, both published by the Royal Society of Chemistry.
36
Gas Hydrates May Play a Role Towards Net Zero CO2 Target
Rajnish Kumar
Department Chemical Engineering, IIT Madras
Abstract:
Hydrate are ice like crystalline solid which could form even at ambient conditions. While hydrates
commonly forms in oil and gas pipelines leading to pipeline blockages, and are considered
nuisance, hydrate research has however become popular due to its being an alternative resource
of methane. As per recent estimates, total amount of carbon in methane hydrates, far exceeds the carbon
content in all the fossil fuel reserves put together, and hence natural gas hydrates if exploited could be converted
into blue hydrogen (through steam reforming). CO2 capture and sequestration are thus essential and would
require a sustainable solution which is not only economical but also environmentally friendly. As of today,
India generates 3 billion tons of carbon dioxide every year which is increasing at an annual rate of 6%. The
steep target of becoming net CO2 neutral by 2070 is not feasible if we don’t create multiple mini- targets. One
such target could be maintaining our CO2 emission to say 2020 level in next 10 years. If India has to achieve
this target, roughly 2.5-3 billion tons of CO2 has to be captured and sequestered every year by 2030. This
presentation would briefly explain hydrates at molecular level, and its potential application in achieving net
zero carbon dioxide emission.
Prof. Rajnish Kumar
Department Chemical
Engineering, IIT Madras
https://iitm.irins.org/profile/61914
Rajnish Kumar, FRSC is a professor in the Department Chemical Engineering at IIT Madras. Prior to that
he has served as senior scientist at CSIR-NCL, and research associate at National Research Council, Canada.
His PhD is from The University of British Columbia, Canada and has research interests in unconventional
energy, carbon dioxide capture, process development and scale-up. Work from his research group are well
cited, and they have published more than 100 articles. Rajnish was recognized as Highly Cited Researcher in
the year 2018. Rajnish is also a recipient of NASI – Scopus Young Scientist Award in Chemistry for the year
2016. More recently in 2020, Rajnish received Dr. YBG Verma Award for Excellence in Chemical
Engineering Teaching.
37
The first Fe(IV)-superoxo complex: Trapping and Reactivity
Jyotishman Dasgupta
Abstract
Mimicking dioxygen activation at room temperature that is elegantly carried out by Fe-based natural
metalloenzymes have been an outstanding chemistry challenge.[1] Towards that goal inorganic chemists in
past 30 years have been able to trap an Fe(III)-superoxo by direct activation of O2 gas at Fe(II)-based metal
complexes albeit at low temperature.[2] Here using a Pd 6 L4 12+ nanocage in water we show that an Fe(III)-
bTAML complex can activate molecular O2 at room temperature while producing a stable Fe(IV)-superoxo
for the first time.[3] Using a combination of electron paramagnetic resonance, resonance Raman, Mossbauer
and X-ray absorption spectroscopy, we unequivocally determine that the cage- incarcerated complex has a
Fe(IV) oxidation state characterized by a stable S = ½ spin state and a short Fe-O bond distance of ~1.72 Å.
We find that the O2 reaction in confinement is reversible while the formed Fe(IV)-superoxo complex
spontaneously reacts with substrates having weak C-H bonds, opening a new reactivity paradigm for Fe(IV)
oxidation states. This work was carried out in collaboration with Prof. Sayam Sengupta (IISER Kolkata) and
Dr. Dooshaye Moonshiram (ICMM, Madrid)
References
1. a) Edward I. Solomon*†‡Serra Goudarzi†Kyle D. Sutherlin†Biochemistry 2016, 55, 46, 6363–6374; b) A. Bakac; Inorg.
Chem. 2010, 49, 8,
3584–3593; c) Xiaoyan Lu, Shuang Wang and Jian-Hua Qin; Molecules 2022, 27, 4690
2. a) Woonwoo Nam et al. Nature Commun., 2014, 5, 5440; b) Way-Zen Lee, Larry Que, E. Munck et al. J. Am. Chem. Soc.
2014, 136, 31, 10846–10849; c) Jonathan Rittle et. al. J. Am. Chem. Soc. 2021, 143, 34, 13686–13693
3. R. Gera, Puja De, Kundan Singh, Dooshaye Moonshiram, Sayam Sengupta, J. Dasgupta; submitted.
Prof. Jyotishman Dasgupta

Tata Institute of Fundamental Research (TIFR), Mumbai Email: [email protected]
Web: www.jdgroup.com
Dr. Jyotishman Dasgupta received his 5-years Integrated Masters degree in chemistry from Indian Institute of
Technology, Kharagpur in 2000. Subsequently he moved to Princeton University as a Hughes Stott Taylor
graduate fellow where he carried out his Ph.D. work in the field of oxygenic photosynthesis under the
supervision of Prof. G. Charles Dismukes. In 2006, he moved to UC Berkeley where he did his postdoctoral
work with Prof. Richard A. Mathies. He joined the Tata Institute of Fundamental Research, Mumbai in 2010,
and currently he is an Associate Professor. The central theme of his research group is to probe dynamical
structural events leading to charge generation in molecular materials, in order to fabricate bio-inspired
molecule-based devices for photocatalysis and solar electricity generation. He received the 2017 Young
Scientist Award from the Asian and Oceanian Photochemical Association (APA), and has been in the editorial
board of JPC Letters.
38
Changing Paradigm in Catalysis: Reactivity of Single Atom Alloys and
Nanoclusters
M. Ali Haider
Department of Chemical Engineering, Indian Institute of Technology Delhi, India.
Abstract
Since the discovery of active sites by Sir Hugh Taylor, researchers in catalysis are intrigued by the
identification and nature of atomic sites which actively participate in turning over the catalytic cycle. For
decades, heterogeneous catalysis is considered to be functioning at the most stable sites on the catalyst
surface, wherein the elementary reactions are bound to follow a unique linear relationship between the
reaction and activation energies. However, in a changing paradigm, the reactivity of single atom alloys is
showing a breakdown from linear scaling [1], leading to erroneous interpretations from a first principle
microkinetic model, employing scaling relations and machine learning tools [2, 3]. Moreover, the site itself
may not be the sole contributor of reactivity. Instead, a statistical ensemble of active sites which could include
the reactivity of metastable species, may provide a more-suited expression for reaction rates. This is
elucidated in the reactivity of metastable molybdenum carbide nanoclusters for C-H activation in alkanes
and alkenes [4]. The evolved understanding of active site is providing a unique opportunity for rational
catalyst design.
References
1. Iyer, J., Jalid, F., Khan, T.S. & Haider, M. A. (2022): Reaction Chemistry and Engineering, 7, 61-75.
2. Kumar, A., Iyer, J., Jalid, F., Ramteke, M., Khan, T.S. & Haider, M. A. (2022): ChemCatChem, 14, e202101481.
3. Saxena, S., Khan, T. S., Jalid, F., Ramteke, M. & Haider, M. A. (2020): Journal of Materials
Chemistry A, 8(1), 107–123
4. Balyan, S., Saini, S., Khan, T. S., Pant, K. K., Gupta, P., Bhattacharya, S. & Haider, M. A. (2021):
Nanoscale, 13(8), 4451–4466
Prof. M. Ali Haider

Department of Chemical Engineering, Indian
Institute of Technology Delhi Email:
[email protected]
Web: www.reclab.in
Dr. M. Ali Haider has completed his M.S. and Ph.D. in Chemical Engineering at the University of Virginia and B.Tech.
from Indian Institute of Technology (IIT) Guwahati. He joined the Department of Chemical Engineering at IIT Delhi
in 2013. He is a recipient of the Humboldt Research Fellowship for experienced researchers by the Alexander von
Humboldt Foundation. He was a visiting scholar at the University of Delaware on a ‘Bioenergy- Award for Cutting
Edge Research’ sponsored by the Indo–US Science and Technology Forum. His research interests are focused on
experimental and theoretical heterogeneous catalysis applied to renewable energy and chemicals. He has received ‘Dr.
A.P.J Abdul Kalam HPC Award for R & D in HPC Applications’ by Hewlett Packard Enterprise and Intel. Indian
Institute of Chemical Engineers has bestowed him the ‘Amar Dye-Chem Award for Excellence in Basic Research and
Development in Chemical Engineering’. He is a recipient of the ‘DAE-BRNS Young Scientist Award’, ‘Gandhian Young
Technological Innovation Award’ and Institution of Engineers (India) ‘Young Engineers Award’. Journals of the Royal
Society of Chemistry have recognised his contributions at various occasions as an ‘Emerging Investigator’, ‘Highly
Cited Author’ and in ‘Editor's Choice Collection’. At IIT Delhi, his contributions in teaching and research are noted by
the ‘Industry Relevant Best PhD Thesis Supervision’, ‘Teaching Excellence Award’ and ‘Early Career Research
Award’. He is a member of the The National Academy of Sciences, India (NASI) and Indian National Young Academy
of Sciences (INYAS).
39
Can Carbon Capture and Storage in India Accelerate the Efforts Towards
Net-Zero Emissions?
Vikram Vishal
National Centre of Excellence in Carbon Capture and Utilization, Department of Earth
Sciences Indian Institute of Technology Bombay, Mumbai, India.
Abstract
India is at the cusp of a major leapfrog in its economy and is clearly set on a path of rapid development. This
will bring in increased consumption of energy – which are still largely based on coal and petroleum. While
the country has done exceedingly well in terms of its commitment to the Paris Agreement, leading to a
reduced share of coal in the energy mix, it is evident that high scale consumption of coal in decades to come
is inevitable. ‘Panchamrit’ commitments by the Hon’ble Prime Minister at COP-26 in Glasgow reiterates the
intent of the nation to proceed with climate goals aligned with the world targets. Ambitious growth targets
across various sectors, including those ‘hard- to-abate’ industries such as power, steel, cement, petroleum
and fertilizer, etc. will continue to add high quantities of anthropogenic CO2 in the atmosphere.
Efforts are being made for transition to cleaner fuels, green hydrogen and improved efficiency of the plants,
it may be important to check on the total CO2 emissions during the transition to net-zero by 2070.
Incorporating carbon capture, utilization, and storage (CCUS) into its national plan will accelerate abatement
of CO2 emissions in the atmosphere. By achieving five of the UN's seventeen Sustainable Development Goals
through CCUS, India can join the league of major world economies on the CCUS world map. As per the
International Energy Agency and the Global CCS Institute assessments, CCUS shall account for about 14-
32% of all efforts to clean energy transitions by 2070. This work discusses the early opportunities for CCUS
in India, it’s relevance to net-zero emission goals and the scale of carbon sequestration in different geological
sinks in the country (1-3).
References
1. Vishal V, Singh U, Bakshi T, Chandra D, Verma Y, Tiwari AK. Geological Society, London, Special Publications.
2022;528(1):SP528-2022.
2. Vishal V, Chandra D, Singh U, Verma Y. Resources, Conservation and Recycling. 2021;175:105829.
3. Vishal V, Verma Y, Chandra D, Ashok D. International Journal of Greenhouse Gas Control. 2021;111:103458.
Prof. Vikram Vishal

Convener, National Centre of Excellence in Carbon Capture and Utilization
Associate Professor, Department of Earth Sciences
Associate Faculty, Interdisciplinary Programme in Climate Studies
Indian Institute of Technology Bombay, Mumbai.
Web: https://www.geos.iitb.ac.in/index.php/vv/
Dr. Vikram Vishal is an Associate Professor at Indian Institute of Technology Bombay. Dr. Vishal obtained
his Ph.D. degree jointly from IITB and Monash; and his postdoctoral experience as a Fulbright-Nehru fellow
at Stanford University, USA. He later received the Fulbright-Kalam Climate Fellowship in the Academic and
Professional Excellence category to work at MIT, USA. He is the Knowledge Partner to the Ministry of
Petroleum and Natural Gas, and and Advisor to Oil and Natural Gas Corporation for carbondioxide-enhanced
oil recovery policies and projects, respectively. Dr. Vishal is a two-time national award winner in the Young
Researcher category, by the Government of India, and holds recognition from all major Indian science
academies. In 2021, his team, led by students, won the prestigious CCS X-Prize, supported by the Elon Musk
Foundation for ‘demonstration of carbon dioxide removal’. His research interests cover different domains of
geomechanics, carbon sequestration, enhanced petroleum recovery and unconventional hydrocarbons.
40
Potential of Cu-Cl Thermochemical Cycle and Carbon Nitride Based
Photocatalysts for Hydrogen Generation
Mrinal R. Pai
Chemistry Division, Bhabha Atonic Research Centre (BARC), Trombay, Homi Bhabha National Institute,
Anushaktinagar, Mumbai 400094, India
Abstract
Presently, thermochemical cycles are considered to be potential candidate for large scale hydrogen
Generation. Among several efficient thermochemical cycles, Cu-Cl process is entrusted as it occurs at lower
temperature, is efficient and can utilize the waste heat of nuclear reactors [1-2]. Present talk will deliberate
about R&D efforts on one of the challenging step, hydrolysis step of Cu-Cl cycle. CuCl2 hydrolysis step was
demonstrated in an indigenously developed fixed-bed reactor (~95%) and also in an advanced spray reactor
for large-scale CuCl2 hydrolysis (targeted 0.5kg/day). Kinetic data, mechanistic aspects of thermal
decomposition of Cu2OCl2 was also investigated.
Heptazine phase of carbon nitride, g-C3N4 with band gap of 2.77 eV is stable and fulfills the thermodynamic
criteria for photocatalytic hydrogen evolution reaction [3]. However, it suffers from high rate of recombination
reaction. In present study, various strategies were adopted to enhance its potential for photocatalytic hydrogen
yield. The layered g-C3N4 was unfolded into layers by chemical exfoliation, to provide a non-recombinative
pathway to photogenerated charge carriers. Also, formation of composite with Spinels and dispersion of
carbon nanodots on its surface, considerably boosted the photocatalytic performance of carbon nitride. Mott-
Schottky heterojunctions created by introduction of plasmonic as well as non-plasmonic metal ions has
considerably improved the sunlight driven hydrogen yield of all the modified and unmodified g-C3N4
photocatalysts. Present talk will discuss about the key characteristics of modified carbon nitride catalysts,
correlate the fundamental alterations induced in the electronic and band structure with uplifted photocatalytic
properties.
References
1. Rajendra V. Singh, Mrinal R. Pai*, Atindra M. Banerjee, Chandrani Nayak, Suhas Phapale, Dibyendu Bhattacharyya, Arvind K.
Tripathi, J. Therm. Anal. & Calorim., 2022, 147, 7063–7076.
2. R. V.Singh, Mrinal R. Pai*, Atindra M. Banerjee, Geeta R. Patkare, Rajesh V. Pai, Asheesh Kumar, Ashok K. Yadav, Suhas
Phaphale, Arvind K. Tripathi , Inter. J. Energy Res., 2020, 44, 2845-2863.
3. Sushma A. Rawool, Mrinal R. Pai*, Rajendra V. Singh, Atindra M. Banerjee and A. K. Tripathi, Chapter-18 in Handbook on synthesis
strategies for advanced materials, Volume-II: Processing and functionalization of materials, Editors: A. K. Tyagi and R. S.
Ningthoujam, Publisher: Springer Nature 2021 p.753-790.
Dr. Mrinal R. Pai

SO-G and Associate Professor,
Chemistry Division, Bhabha Atomic Research Centre, Mumbai
Homi Bhabha National Institute, Mumbai
email: [email protected]; [email protected]
Dr. Mrinal Rajesh Pai, works in Hydrogen Energy and Catalysis Section, of Chemistry Division, BARC. After
graduating from Delhi University and post graduating from IIT-Delhi in 1996, she joined BARC through
training school orientation course (40th Batch, 1996-97) in Chemical Sciences. Since, past two decades, she
is engaged in research on catalytic reactions and mechanisms of heterogeneous type. The main focus of her
research work is to develop catalyst for DAE and Industrial applications. Contributions and excellence of Dr.
Pai’s work is reflected in her publications in international journals and the awards she received and positions
she held in many scientific societies. She has supervised the research work of many post graduate and
doctorate students. Potential of her research work has caught attention and called for many collaborations and
national consortiums supported by BRNS and DST.
41
Ni/Co in and On Ceo2: A Comparative Study On Dry Reforming Reaction
Pradeep Yadav and Sudhanshu Sharma
Discipline of CHemistry, Indian Institute of Technology Gandhinagar (IITGN), Gandhinagar, Gujarat,
India.
Abstract
Mono metal (Ni, Co)- substituted (in) and supported (on) CeO2 catalysts were synthesized using the solution
combustion and Formaldehyde reduction methods. Catalysts were characterized by the X-ray diffraction
(XRD), BET surface area measurements, H2 temperature-programmed reduction (H2-TPR), Transmission
electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and tested for the dry reforming
reaction in the temperature range room temperature to 800 0C. Both supported and substituted catalysts show
distinct differences for the dry reforming activity. While Ni works best in the supported form, Co works best
in the substituted form. The Co substituted CeO2 show the highest stability under the DRM reaction condition
at 800 0C. H2/CO selectivity also differs among supported and substituted catalysts. Carbon deposition on
the spent catalysts were investigated by thermal gravimetric analysis (TGA) and TEM which shows that the
deactivation is due to the presence of amorphous and graphitic carbon. Transient studies on the mass
spectrometer indicates the prominence of the reaction CO2+C→2CO is responsible for the catalyst’s stability.
This fact is further verified and quantified by TGA data.
References
1. Alan R. Derk, George M. Moore, Sudhanshu Sharma, Eric W. McFarland & Horia Metiu Topics in Catalysis
(2014), 57, 118–124
2. Anuj Bisht, Amita Sihag, Satyaprasad Akkireddy, S. Sairam Mallajosyala, Sudhanshu Sharma, Catalysis
Letters, 2018, 148, 1965-1977.
3. Alan R Derk, Bo Li, Sudhanshu Sharma, George M Moore, Eric W McFarland, Horia Metiu, Catalysis Letters,
2013, 143, 406-410.
Prof. Sudhanshu Sharma

Associate Professor, Chemistry,
IIT Gandhinagar
Web: http://iacs.res.in/faculty-profile.html?id=69 https://iitgn.ac.in/faculty/chemistry/fac-sudhanshu
Dr. Sudhanshu Sharma did his bachelor degree from CCS University Meerut and he did his
master’s degree in chemistry from Indian Institute of Technology Roorkee. He went on to do his PhD from
Indian Institute of science Bangalore under the supervision of Professor M. S. Hegde. In 2009 after finishing
the doctorate, he went to University of California Santa Barbara, USA on a post-doctoral fellowship. His
subsequent post-doctoral research was in Arizona State University, USA. Since his return in 2012, he has
been working at IIT Gandhinagar as an assistant professor.
A recipient of Ramanujan Fellowship, he has been involved actively in teaching and research and has taught
a number of courses such as electrochemistry, catalysis, spectroscopy, general chemistry, thermodynamics
and physical chemistry laboratory. He has published about 55 research papers in international journals. He
has been guiding several PhD, MSc and M.Tech. students at IIT Gandhinagar.
His basic training is in the area of catalytic materials and his research interests include, CO2 reduction to fuel,
Methane activation, Conducting metal oxides, oxygen storage materials and hydrogen generation.
42
Design of Biosensors for Enviornmental Monitoring of Aromatic Pollutants
Ruchi Anand
Department of Chemistry, Indian Institute of Technology Bombay (IITB), Mumbai, India.
Abstract
Due to industrialization and vegetation destruction water contamination has become a severe threat to global
health. Hence, environmental monitoring of major pollutants such as aromatic hydrocarbons that persist for
long time in the environment is imperative.1 Selective biosensing of aromatic xenobiotics remain challenging
as they lack active functional groups. Hence, here we exploit nature’s sensory modules that have already
mastered the art of detecting hazardous molecules with precision as a first step to design a sensor.2,3 Further,
to enhance their portability, sensitivity and selectivity we combine the natural sensor with an appropriate
nano-support.4 In this work, we have demonstrated efficient detection of phenol using a strip based MopR
biosensor immobilized on silica nanospheres (SNs) of different pore sizes as an essential immobilization
nanoplatform. Sensor of SNs with average pore size 9 nm and pore volume 1.12 cc/g can detect phenol to as
low as 0.1 µM (10 ppb). The designed sensor proved to be both robust and sensitive in real environmental
samples where, it exhibited more than 90% accuracy in selective detection of phenol. Additionally, to improve
sensor performance, functionalized porous silica nanospheres were probed and the activities of the
functionalized sensors for different SNs was found to be predominantly pore size dependent with pore volume
of the nano-support being fundamental for biosensing. This in-depth study of both physically and chemically
modified unique silica nanospheres as MopR based biosensor design helped in developing a practical
framework for deciphering physico-chemical aspects of protein immobilization on porous support for in situ
pollutant monitoring.
References:
(1) Ray, S.; Gunzburg, M. J.; Wilce, M.; Panjikar, S.; Anand, R. Structural Basis of Selective Aromatic Pollutant Sensing by the Effector
Binding Domain of MopR, an NtrC Family Transcriptional Regulator. ACS Chem. Biol. 2016, 11 (8), 2357–2365.
https://doi.org/10.1021/acschembio.6b00020.
(2) Ray, S.; Panjikar, S.; Anand, R. Structure Guided Design of Protein Biosensors for Phenolic Pollutants. ACS SENSORS 2017, 2 (3),
411–418. https://doi.org/10.1021/acssensors.6b00843.
(3) Ray, S.; Panjikar, S.; Anand, R. Design of Protein-Based Biosensors for Selective Detection of Benzene Groups of Pollutants. ACS
SENSORS 2018, 3 (9), 1632–1638. https://doi.org/10.1021/acssensors.8b00190.
(4) Ray, S.; Senapati, T.; Sahu, S.; Bandyopadhyaya, R.; Anand, R. Design of Ultrasensitive Protein Biosensor Strips for Selective
Detection of Aromatic Contaminants in Environmental Wastewater. Anal. Chem. 2018, 90 (15), 8960–8968.
https://doi.org/10.1021/acs.analchem.8b01130.
Prof. Ruchi Anand

Institute Chair Professor
Department of Chemistry
Wellcome Trust-DBT India Alliance Senior Fellow Indian Institute of
Technology Bombay, Mumbai
E-Mail: [email protected]
https://structuralbioiitb.wixsite.com/ruchianand
Ruchi Anand completed her PhD in 2004 from the Department of Chemistry and Chemical Biology at Cornell University, USA.
After conducting postdoctoral research at Sloan Kettering and the University of Pennsylvania she joined IIT-Bombay in 2008 as an
Assistant Professor. Her laboratory employs a combination of X-ray Crystallography, Cryo-EM, biochemical and biophysical tools
to understand molecular mechanisms with implications to human health. Her current research interests follow a multipronged
approach where she has contributed to two major areas, antimicrobial resistance and biosensors development. Towards the first
goal of combating drug resistance, she focuses both on unearthing enzyme systems that can serve as new therapeutic targets as well
as is involved in understanding the origins of antibiotic resistance itself. Her recent work with bacterial transcription factors has
paved the way to structure-guided development of biosensors for aromatic pollutants. Since 2016, she has been serving on the
Editorial Advisory board for ACS Sensors. She was the recipient of the National Academy of Sciences Fellowship (FNASc) in
2019 and also won the National Women Bio-scientist Award, Department of Biotechnology, in 2018 and was awarded the CRSI
bronze medal for 2020. She is also the recipient of the DBT-Wellcome Trust Alliance Senior Fellowship in 2020. She was admitted
as a fellow to the Indian Academy of Science (IASc) in 2022.
43
Carbon Dioxide Utilization Through Microbial Electrosynthesis Process
Sunil A. Patil
Department of Earth and Environmental Sciences, Indian Institute of Science Education and Research
Mohali, Knowledge City, Sector 81, SAS Nagar, 140306, Punjab, India
Abstract
Atmospheric carbon dioxide (CO2) concentrations are at an all-time high due to rising emissions from various
sources. Utilizing CO2 from the point sources through different technologies is a promising approach to curb
its release into the atmosphere. Microbial electrosynthesis (MES)1-2 has emerged as a promising technology
for CO2 utilization. It is an electricity-driven bioprocess that utilizes microbes as catalysts to reduce CO2 into
multi-carbon chemicals in electrochemical systems. Our work focuses on the applicability and scalability
aspects of this technology for industrial CO2 conversion into acetic acid. I will present the possibility of
applying MES technology for utilizing unpurified brewery CO2 and biogas upgradation3-4. MES has some
limitations in producing high-value multi-carbon chemicals. To this end, I will discuss the two-stage
bioprocess approach based on linking MES with yeast cultivation for producing high-value terpenes and yeast
biomass5. Finally, I will conclude with the work we have undertaken at the liter-scale reactors to evaluate the
scale-up feasibility of MES technology.
References
1. Patil S.A., Gildemyn S., Pant D., Zengler K., Logan B.E., Rabaey K. Biotechnol. Adv. 2015, 33, 736-744
2. Roy M., Aryal N., Zhang Y., Patil S.A., Pant D. Curr. Opi. Green Sustain. Chem. 2022, 35, 100605
3. Roy M., Yadav, R., Chiranjeevi P., Patil S.A. Bioresour. Technol. 2021, 320 (Part A), 124289
4. Roy M., Yadav S., Patil S.A. Front. Energ. Res. 2021, 9, 759678
5. Yadav R., Chattopadhyay B., Kiran R., Yadav A., Bachhawat A.K., Patil S.A. Bioresour. Technol. 2021, 363,
127906
Prof. Sunil A. Patil

Assistant Professor
Department of Earth and Environmental Sciences
Indian Institute of Science Education Research
Mohali Email: [email protected]
Web: https://web.iisermohali.ac.in/Faculty/eemblab/
Dr. Sunil A. Patil leads Environmental Electro-microbiology and Biotechnology group at IISER Mohali. He
obtained Ph.D. in Microbiology from the S. P. Pune University in 2011. Before joining IISER Mohali, he
worked as a postdoctoral fellow at Technical University Braunschweig, Germany, Lund University, Sweden,
and Ghent University, Belgium. His research focuses on understanding extracellular electron transfer-based
anaerobic metabolisms and microorganisms from extreme environments, and developing integrated bio-
electrochemical technologies for renewable electricity- driven bioproduction of chemicals from industrial CO2
and wastewater management at the point sources. Dr. Sunil is a recipient of DAAD doctoral scholarship
(2008-2010), Marie Skłodowska-Curie postdoctoral fellowship (2011-2015), and Alexander von Humboldt
fellowship for senior researchers (2016-2017). He has been on the editorial board of Bioresource Technology
Reports since its launch in 2017. He is also serving as the associate editor for the Microbiotechnology specialty
section of Frontiers in Microbiology, Frontiers in Bioengineering and Biotechnology, and Frontiers in
Environmental Science journals. He has been on the board of directors of the International Society of
Microbial Electrochemistry and Technology (ISMET) since 2020. He is a recipient of the best teacher award
2021 in IISER Mohali.
44
CO2 Electro-Reduction Using Solid Oxide Electrochemical Cells: Beyond Ni-YSZ
Vipin Kamboj and Chinmoy Ranjan
Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bengaluru, India.
Abstract
Ni-YSZ electrodes form the benchmark in Carbon Dioxide electroreduction to CO. Ni-YSZ due its popular
use in Solid Oxide Fuel Cells forms the basis of various process steps. Unfortunately, this material remains
active only if a certain amount of hydrogen is supplied along side CO2 to the inlet of the reaction.
Consequently, the Ni-YSZ results in CO production via reverse water gas shift (RWGS) reaction when H2 is
supplied at the inlet. The currents for the electrode originate from electrolysis of H2O which is formed as a
result of reverse water has shift. We have quantified the amount of CO produced from RWGS vs direct CO2
electrolysis in such a system using online mass spectrometry (MS). Electrochemical impedance spectroscopy
measurements where analysed using distribution of relaxation times analysis. Under low concentration of H2
the overall impedance is dominated by H2 mass transfer. Effects of concentration of various reactants were
measured using online MS. The process of pretreatment of the electrodes and catalyst surface development
during reaction were tracked using in situ Raman Spectroscopy and optical spectrocopy. Electrodes were
structurally characterised using SEM, TEM, XPS and ICP-OES measurememts. Various new combination of
mixed metal oxide electrodes Ni(M)-YSZ were tested and compared with the performance of pure Ni-YSZ.
Ni-YSZ electrode when used under pure CO2 results in catastrophic failure of the electrode performance. We
have investigated this failure using in situ Raman and Mass spectrometry. The mechanism of CO2 production
in pure CO2 stream was found to be drastically different from when a small amount of H2 is used.
Prof. Chinmoy Ranjan

Department of Inorganic and Physical Chemistry,
Indian Institute of Science, Bengaluru
Dr. Chinmoy Ranjan completed his PhD in Chemistry from Cornell University. He has worked in the
semiconductor industry as senior scientist, as a project leader at the Fritz Haber Institute and has been a
group leader at Max Planck Institute for Chemical Energy Conversion. He has been working in the area of
electrocatalysis for last two decades developing new catalysts and operando techniques for probing catalysts
in action. At Indian Institute of Science his group is interested in developing solutions for electrochemical
energy storage and conversion. Specifically, his group focuses on developing solid oxide electrodes for CO2
electrolysis and probing them using operando spectroscopic techniques.
45
The Reversible Conversion of CO2 to CO By Molecular Electrocatalysis
Somnath Guria, Chandan Das, Dependu Dolui, Arnab Dutta
Department of Chemistry, Indian Institute of Technology Bombay (IITB), Powai, Mumbai, India.
Abstract
The increase of atmospheric CO2 at an alarming rate is considered one of the prime reasons for the decaying global
climate health. Hence, we are in dire need of a sustainable solution leading towards a carbon-negative scenario. In this
context, the advent of catalysts driving facile CO2 reduction (to commercially viable molecules) has become relevant
more than ever. The scientific community has developed an array of versatile catalysts over the past few decades, but
none of them could replicate the reversible CO2 reduction reactivity, a feature only exhibited by natural enzymes. Such
a remarkable enzymatic response is attributed to the precise regulation orchestrated by the synchronous interaction
between the active metal site, associated cofactors, and the surrounding protein scaffold. Here, we have simulated the
minimal but essential features of the enzyme architectural blueprint on a synthetic template by assembling redox non-
innocent ligand scaffolds around a copper center along with strategic positioning of peripheral proton exchanging
functionalities. This genre of copper complexes displayed reversible interconversion between CO2 and CO in organic
media under electrocatalytic conditions. Hence, these catalysts operate with minimal energy penalty (overpotential) on
either side of the equilibrium potential. Such a reversible catalytic behavior is a hallmark of enzymatic behavior, and it
has been rarely replicated for synthetic catalysts.1–3 A range of complementary spectroscopic, spectroelectrochemical,
and analytical experiments were performed on these catalysts to unravel the underlying structure-function relationship
driving this unique reversible catalytic behavior. This genre of catalyst continued to exhibit reversible CO2/CO
conversion in the solution phase for the same stock over 30 days with negligible depletion in the reactivity. Such a time-
stable reactivity further vouches for the readiness of these catalysts for direct application for CO2 mitigation technology
under practical conditions.
References
1. Dutta, A.; DuBois, D. L.; Roberts, J. A. S.; Shaw, W. J. Amino Acid Modified Ni Catalyst Exhibits Reversible H2
Oxidation/Production over a Broad PH Range at Elevated Temperatures. Proc. Natl. Acad. Sci. 2014, 111 (46),
16286– 16291. https://doi.org/10.1073/pnas.1416381111.
2. Priyadarshani, N.; Dutta, A.; Ginovska, B.; Buchko, G. W.; O’Hagan, M.; Raugei, S.; Shaw, W. J. Achieving
Reversible H2/H+ Interconversion at Room Temperature with Enzyme-Inspired Molecular Complexes: A
Mechanistic Study. ACS Catal. 2016, 6 (9), 6037–6049. https://doi.org/10.1021/acscatal.6b01433.
3. Dutta, A.; Appel, A. M.; Shaw, W. J. Designing Electrochemically Reversible H 2 Oxidation and Production
Catalysts. Nat. Rev. Chem. 2018, 2 (9), 244–252. https://doi.org/10.1038/s41570-018-0032-8.
Prof. Arnab Dutta

Associate Professor, Department of Chemistry,
Indian Institute of Technology Bombay (IITB), Powai, Mumbai Email: [email protected]
Web: https://www.arnabdutta-bioinorganic-lab.com/
Arnab Dutta received his B.Sc. from Presidency College Kolkata before moving to IIT Bombay for his M.Sc.
degree. He completed his studies at IIT Bombay in 2007 and traveled to Arizona State University for Ph.D.
in inorganic chemistry. He received his doctoral degree in 2012, where he explored the bio-inspired solutions
for green hydrogen production. Later, he joined Pacific Northwest National Laboratory and developed
synthetic catalysts for H2 production. He returned to India in 2015 and initiated his independent career as an
assistant professor in Chemistry at IIT Gandhinagar. In 2020, he returned to his alma mater IIT Bombay,
where he is currently working as an associate professor. His research interests are developing sustainable
solutions for green hydrogen production, CO2 mitigation, water oxidation, and other energy-relevant small
molecule activation. Arnab is a recipient of the Ramanujan Fellowship, and he is also an associate of the
Indian Academy of Science, Bangalore.
46
Enabling Integrated CO2 Capture and Conversion by Dual Function Materials
Atsushi Urakawa
Department of Chemical Engineering, Delft University of Technology (TU Delft), Delft, The
Netherlands E-mail: [email protected]
Abstract
Albeit a variety of available strategies for CO2 conversion to useful chemicals and fuels, most technologies
require relatively pure CO2, especially without oxygen and water. This requires additional steps of
CO2 capture and purification before its efficient conversion. This necessity increases energy requirement,
leading to poorer carbon footprints and higher capital expenditures lowering the viability of overall CO2
conversion processes. In this light, combining CO2 capture and reduction processes is an important step
towards practical and greener CCU. In this contribution, I present our recent efforts to develop the integrated
CO2 capture and conversion process to produce syngas (CO+H2)1,2 and methane.3,4 For the synthesis of
syngas, diluted CO2 streams common in process flue gases (e.g. 5-13 vol%), even containing oxygen and
water, can be fed to the process and relatively pure product stream can be produced. By means of reactor
integration, continuous CO2 abatement and conversion based on a two-reactors system or chemical looping
approach is also feasible.5 I illustrate the powerful use of space- and time-resolved operando methodologies
to understand what, when, where and how the dynamic process is taking place in the catalytic reactor to gain
critical insights towards rational design of the dual function materials and the integrated process.6,7
References
1. L. Bobadilla et al., Journal of CO2 Utilization, 2016 14, 106-111
2. T. Sasayama et al., Journal of CO2 Utilization, 2022 102049
3. L Hu, A. Urakawa, Journal of CO2 Utilization, 2018 25, 323-329
4. F. Kosaka et al., ACS Sustainable Chemistry & Engineering, 2021 9 (9), 3452-3463
5. F. Kosaka, et al., Chemical Engineering Journal, 2022 450, 138055
6. T. Hyakutake et al., Journal of Materials Chemistry A, 2016 4 (18), 6878-6885
7. D. Pinto et al., Catalysis Science & Technology, in press
Prof. Atsushi Urakawa

Professor of Catalysis Engineering
Department of Chemical Engineering Delft
University of Technology (TU Delft) Delft,
The Netherlands
Atsushi Urakawa obtained his BSc degree in Applied Chemistry at Kyushu University (Japan) with one year
stay in the USA. He then moved to Europe and studied Chemical Engineering at TU Delft for his MSc degree
and obtained his PhD in 2006 at ETH Zurich (Switzerland). He worked as Senior Scientist and Lecturer at
ETH Zurich and in 2010 he joined ICIQ (Spain) as Group Leader. In 2019, he undertook a new challenge as
Professor of Catalysis Engineering at TU Delft. He is elected Fellow of the Royal Society of Chemistry (2016)
and the recipient of JSPS Prize (2020) and The Japan Academy Medal (2021).
47
Green Chemistry and Catalysis for Achieving Sustainable Development Goals
Venkata Krishnan
School of Chemical Sciences, Indian Institute of Technology Mandi, Kamand, Mandi, H.P., India.
Abstract
Energy crisis and environmental deterioration has emerged as major problems around the world in recent
times, mainly due to combustion of fossil fuels and their depletion. The utilization of solar energy for the
production of chemical fuels is an attractive and major strategy to address the global energy crisis and other
environmental issues. Our research group has recently developed several two dimensional carbon (reduced
graphene oxide and graphitic carbon nitride) supported nanostructured photocatalysts based on
semiconductors, plasmonic materials, perovskite structures and upconversion nanoparticles, which can utilize
the full solar spectrum from ultraviolet to infrared regions for energy generation and environmental
remediation applications. In addition to photocatalytic hydrogen generation, nitrogen fixation and pollutants
degradation, our group has also utilized these materials for biomass conversion, carbon dioxide reduction and
Green organic transformations, either by doping with a heteroatom or by functionalization or by preparing a
composite with other material. The highlights of the ongoing research work of our group will be presented.
References
1. P. Choudhary, A. Kumar and V. Krishnan, Chem. Eng. J. 2022, 431, 133695.
2. A. Kumar, M. Kumar, V. N. Rao, M. Shankar, S. Bhattacharya and V. Krishnan, J. Mater. Chem. A 2021, 9, 17006-17018.
3. A. Kumar, P. Choudhary, A. Kumar, P. H. C. Camargo and V. Krishnan, Small 2022, 18, 2101638.
4. T. Chhabra, P. Dwivedi and V. Krishnan, Green Chem. 2022, 24, 898-910.
5. A. Kumar and V. Krishnan, Adv. Func. Mater. 2021, 31, 2009807.
6. A. Kumar, A. Kumar and V. Krishnan, ACS Catal. 2020, 10, 10253–10315.
Prof. Venkata Krishnan

Indian Institute of Technology Mandi
Kamand, Mandi 175075, Himachal Pradesh, India.
Web: https://www.vkngroup.org/
Dr. Venkata Krishnan completed his Ph.D. in Physical Chemistry in 2006 at the University of Stuttgart,
Germany. Subsequently, he worked as a postdoctoral researcher at the University of Pennsylvania, U.S.A.
from 2006 to 2010 and then as a research associate at the National Institute for Materials Science (NIMS),
Japan from 2010 to 2012. He joined as a faculty at IIT Mandi Mandi in April 2012. His research group is
working in the field of Green Chemistry and Heterogeneous Catalysis for Energy and Environmental
Applications. He has successfully guided 9 Ph.D. and 21 M.Sc. students and is currently guiding 7 Ph.D. and
5 M.Sc. students, in addition to several short term research interns. He has published more than 150 articles in
well reputed international journals and is also a reviewer for several scientific journals. He has been bestowed
with several awards, including DST INSPIRE faculty award, IIT Mandi foundation day award for excellence
in teaching, MANA research fellowship, DoE postdoctoral fellowship, DFG doctoral fellowship, DAAD
visiting scholar fellowship, etc. Currently, he is serving as the Dean of Sponsored Research, Industrial
Consultancy and International Relations (SRIC & IR) at IIT Mandi.
48
Conversion of Industrial Waste H2S Pollutant to Value-Added Products
Tharamani C. Nagaiah
Department of Chemistry, Indian Institute of Technology, Ropar, Punjab-140001, India
*E-mail address: [email protected]
Abstract
Highly efficient and cost-effective hydrogen production (H2) promises to play a vital role in green energy production
due to its high energy density, low-pollution, and renewable nature. The electrocatalytic decomposition of H2O to H2
and O2 considered to be the most sustainable method for pure H2 production, unfortunately, it stumbles due to potentially
uphill and energyconsuming sluggish anodic oxygen evolution reaction (OER).1 Contrary to H2O isostructural hydrogen
sulfide (H2S) possesses lower bond dissociation energy. Therefore, anodic sulfide oxidation reaction (SOR) will be
more energy-efficient than OER. Presently, the Claus process is the most popular industrial technology for removing
H2S, but energy wasted in the form of steam. Therefore, electrochemical conversion of environment pollutant H2S into
H2 and S provide a way to remove pollutant H2S and also emerges as new energy source.2 However, the industrialization
of such energy-efficient technology never meets the expectation in reality in the absence of cost-effective and robust
electrocatalyst. Herein we have designed CoFeS2 based catalyst that exhibited lower onset potential of 0.23 V vs. RHE
towards SOR, which is 1.25 V lower than OER. Notably, only a 1.2 V commercial battery easily derives H2S
electrolysis, which is impossible for H2O splitting demonstrating the tremendous future prospective of H2S for cheaper
hydrogen production for a sustainable economy.
Scheme 1. Schematic representation of H2S electrolysis into cathodic H2 and anodic S by CoFeS2
References:
1. Zhang, M.; Guan, J.; Tu, Y.; Chen, S.; Wang, Y.; Wang, S.; Yu, L.; Ma, C.; Deng, D.; Bao, X., Highly efficient H2 production from
H 2 S via a robust graphene-encapsulated metal catalyst. Energy Environ. Sci. 2020, 13 (1), 119-126.
2. Kumar, M.; Tharamani, C. Nagaiah, Journal of Materials Chemistry A, 2022, 10, 7048 – 7057
Prof. Tharamani C. Nagaiah

Indian Institute of Technology (IIT) Ropar
Dr. Tharamani is an Associate Professor and Head, Department of Chemistry at Indian Institute of Technology (IIT) Ropar.
She holds a PhD degree from Bangalore University. Prior joining IIT Ropar, she spent four years in Germany as senior
scientist and postdoctoral fellow at Ruhr University Bochum and a year at University of Saskatchewan, Canada. Her research
interests include design and development of various carbonaceous materials, nanomaterials, molecular catalyst with focus on
energy conversion and storage, Biosensors. In-depth fundamental analysis of the newly designed electrocatalysts towards
fuel cells and batteries by various electrochemical, spectroscopic, microscopic and scanning probe techniques (SECM).
Her scientific output resulted in eighty-five (85) publications and three patents at international refereed journals like,
Chemistry of Materials, Journal of Materials Chemistry A (16), Energy Storage Materials, Analytical Chemistry, Journal of
Physical Chemistry C, ACS Applied Material and Interface, Chemical Communications, ChemSusChem etc. She is a recipient
of several prestigious fellowships like Alexander von Humboldt Postdoctoral Fellowship, Germany and Ramanujan
Fellowship by Department of Science and Technology, Govt. of India. Recently she has been admitted as Fellow of Royal
Society of Chemistry (FRSC) through “Leaders in the field” scheme as an emerging talent in India and also an elected Fellow
of Indian Chemical Society. In July she has been awarded CRSI- BRONZE MEDAL 2023 from the Chemical Research
Society of India.
49
Dipole Moment Fluctuations Of Water Molecules Near Metal-Water Interface
Soumya Ghosh
Tata Institute of Fundamental Research, Hyderabad
Abstract
Unravelling the water structure at metal-water interface is critical in understanding several heterogeneous
reactions with or without applied potential. The relative orientation and the magnitude of the dipole moment
vector of each water molecule can be considered as an important tool to quantify arrangement of water
molecules near the metal surface. Realistic theoretical estimation of the dipole moment vector requires a
knowledge of the ‘position’ of the valence electrons along with the nuclei. We will present here a particular
implementation of a methodology to calculate the so-called maximally localized wannier functions that can
be employed to compute the dipole moment of individual water molecules during ab initio molecular
dynamics simulations.
Prof. Soumya Ghosh

Reader-F, Department of Chemical Sciences
Tata Institute of fundamental Research, Hyderabad
Web: https://tifrh.res.in/~soumya.ghosh/
50
Spectroscopic Investigations of O-O Bond Activation over Au Catalysts for
Partial Oxidation Reactions
Abinaya Sampath*, Tomas Ricciardulli,# Pranjali Priyadarshini,# Richa Ghosh,# Jason S. Adams,#
and David W. Flaherty#
*Department of Chemical Engineering, IIT Gandhinagar, Gandhinagar, India.
#
Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, Urbana, USA.
Abstract
Molecular oxygen is a greener substrate for many industrial applications. O-O bond activation in O2 is crucial to
processes like hydrogen peroxide (H2O2) synthesis, alkene, alkane, and CO oxidations.1 Gold catalysts activate O2
depending on the identity of the interfacial sites to form many reactive oxygen species (ROS) like atomic oxygen
(O*), hydroxyl (OH*), hydroperoxo (OOH*), superoxo (O2*) species that differ in their reactivity.2,3 Furthermore,
interfacial sites influence O2 activation with the intentional/adventitious H2O presence.4 We used in situ surface-
enhanced Raman spectroscopy (SERS) to identify ROS and how oxide supports (CeO 2, SiO2, γ-Al2O3) for Au
change the stability of monatomic and diatomic oxygen intermediates from H 2O2 activation in the aqueous phase
and O2 activation in the gas phase.5 The direct spectroscopic findings presented will help understand and develop
Au catalysts to provide desirable ROS for selective partial oxidation reactions in the future.
Extent of O-O bond activation in aqueous H2O2 depends on the identity of the support. Au nanoparticles on SiO2
weakly bind diatomic oxygen intermediates and do not show significant quantities of O* from H 2O2 activation.
Au on γ-Al2O3 more strongly binds diatomic oxygen species (O2*, OOH*) and stabilizes significant OH*
coverages near Au nanoparticles that facilitate O-O bond cleavage leading to the formation of small quantities of
O*. While Au(111) does not activate O-O bond, electrochemical roughening introduces significant OH* coverages
to Au, which activate H2O2 to produce high O* coverages in the absence of support, in addition to stabilizing
diatomic oxygen intermediates. These results provide direct spectroscopic evidence that OH* present near Au
active sites change the ROS present during catalytic oxidation reactions in the aqueous phase. In the gas phase,
prior oxidative/reductive treatments influence the distribution of oxidized Au on Au-CeO2, which increases the
diatomic oxygen coverage.6 H2O stabilizes these oxidized Au species and further increases the diatomic oxygen
intermediates on Au-CeO2. Au-SiO2 binds negligible quantities of monoatomic and diatomic oxygen intermediates
than Au-CeO2 because the Au-SiO2 interface interacts weakly with O2 and H2O molecules. However, even in the
absence of oxide support, H2O facilitates O2 adsorption and increases the binding energies by forming mobile
H2O-activated O2 complexes on the Au surface. Adsorption and activation of H2O on the Au surfaces assist in O2
binding over supported and extended Au surfaces in the gas phase.
References
1. M. M. Montemore, M. A. van Spronsen, R. J. Madix, C. M. Friend, Chem. Rev., 2018, 118, 2816
2. C. J. Wrasman, A. Boubnov, A. R. Riscoe, A, S. Hoffman, S. R. Bare, M. Cargnello, J. Am. Chem. Soc., 2018, 140, 12930
3. M. Kotobuki, R. Leppelt, D. A. Hansgen, D. Widmann, R. J. Behm, J. Catal., 2009, 264, 67
4. J. Saavedra, H. A. Doan, C. J. Pursell, L. C. Grabow, B. D. Chandler, Science, 2014, 345, 1599
5. A. Sampath, T. Ricciardulli, P. Pranjali, R. Ghosh, J. S. Adams, D. W. Flaherty, ACS Catal., 2022, 12, 9549
6. P. Concepción, S. Carrettin, A. Corma, Appl. Catal. A. Gen., 2006, 307, 42
Prof. Abinaya Sampath

Assistant Professor, Department of Chemical Engineering,
IIT Gandhinagar, Gandhinagar
Prof. Abinaya Sampath got her B.Tech (Hons.) in Chemical Engineering at IIT Madras in 2016. She obtained
her Ph.D. in Chemical Engineering from the University of Illinois at Urbana-Champaign in 2022. During her
doctoral studies, she worked on using surface science studies in ultra-high vacuum and in situ Raman
spectroscopy to understand selective bond activation over heterogeneous catalysts. Abinaya Sampath was a
recipient of the Samuel W. Parr fellowship at UIUC, in addition to winning Dorothy M. and Earl S. Hoffman
Travel Grant and poster presentation award at CCC 2020. Abinaya Sampath joined IIT Gandhinagar as an
Assistant Professor in 2022, soon after her Ph.D., and is working on using in situ and operando techniques
to study oxidation of bio-derived molecules.
51
Visible Light Harvesting Nanostructures Materials for Water Splitting and
Environment Remediation
Atul V. Wankhade
Department of Chemistry, Visvesvaraya National Institute of Technolgy, Nagpur,
India Email: [email protected]
Abstract
Excessive exploitation of non-renewable fossil fuels has led to dual threat viz. environmental deterioration1
and increasing global energy crisis due to rapid depletion of these fossil fuels. To address these problems,
utilization of solar energy2 for the production of greener fuels seems to be an excellent remedy for efficient
utilization of solar energy, there is a dire need of developing highly efficient, environmentally benign and
cost-effective photocatalytic system working in visible light spectrum. Our research group is working on the
developing of visible light active semiconductor-based nano-structured photocatalyst3. These developed
photocatalyst are capable of efficiently splitting water to generate H2 gas4 are also employed for the photo
activation of persulfate (PS) ion ensuring rapid and efficient degradation of pollutants. Also, we are working
on the different strategies to enhance the water splitting ability of the developed materials. Thus, contributing
to sector of energy generation and environmental remediation applications. Highlight of our on-going research
work will be presented.
Reference:
1. Das, R. S.; Warkhade, S. K.; Kumar, A.; Gaikwad, G. S.; Wankhade, A. V. , J Alloys Compd, 2020, 846, 155770.
2. Thakare, S. R.; Gaikwad, G. S.; Khati, N. T.; Wankhade, A. V., Catal Commun, 2015, 62, 39–43.
3. Warkhade, S. K.; Zodape, S. P.; Pratap, U. R.; Wankhade, A. V., J Mol Liq, 2019, 279, 434–443.
4. Bayal, N.; Singh, R.; Polshettiwar, V. , ChemSusChem 2017, 10 (10), 2182–2191.
5. Rudra P. Singh, Adarsh K. Mourya, Swapnil K. Warkhade, Sangesh P. Zodape, Umesh R. Pratap, Atul V.
Wankhade, Materials ScienceinSemiconductorProcessing, 2022, 143, 106526.
Prof. Atul V. Wankhade

Associate Professor
Visvevaraya National Institute of Technology (VNIT), Nagpur
Home Page: https://chm.vnit.ac.in/people/atulvwankhade
Dr. Atul V. Wankhade working as an Associate Professor in the Department of Chemistry, Visvesvaraya
National Institute of Technology (VNIT), Nagpur. Atul has obtained his PhD in chemistry from RTM Nagpur
University in 2014 in the area of morphology controlled synthesis of nanomaterials. He was visiting researcher
at KAUST Catalysis center (KCC) KAUST, Saudi Arabia (2012). At VNIT Atul’s research group is working
on development of Nano-structure material for Heterogeneous catalyst, Environmental remediation, Bio-
mimetic activity and Photocatalytic water splitting. He is also a reviewer for several reputed scientific journals.
52
Sustainability – The Chemical Industry’s Key Topic For The 21st Century
Dietmar Hueglin
Innovation Campus Mumbai, BASF Chemicals India Pvt Ltd, Navi Mumbai, India
Abstract
As the world’s population is growing by 2050 to almost 10 billion people according to UN projections, and
the chemical output will strongly increase, the way our industry operates must become much more sustainable.
In this context, the chemical industry will have to undergo a radical transformation with huge scientific and
technical challenges. The detrimental effects of climate change must be mitigated by strict reduction of
greenhouse gas emissions. In support of the EU Green Deal, BASF has committed to reaching the Paris
Climate Agreement with 25% reduction of CO2 emissions until 2030 (as compared with 2018) and net zero
CO2 emissions until 2050. In this talk, the importance of sustainable and “green” technologies will be outlined
and examples from BASF will be given. Energy from renewable sources, climate-neutral production
processes, bio-based feedstocks for replacement of fossil fuels, “green” hydrogen, and a circular economy are
key enablers to reach BASF’s ambitious goals. In summary, innovative chemistries and technologies results
in sustainable chemical products and production processes, enabling the chemical industry to be more
efficient, to consume less input materials, and to create less greenhouse gas and waste.
Dr. Dietmar Hueglin

Director Innovation Campus Mumbai,
Vice President Group Research,
BASF Chemicals India Pvt Ltd, Navi Mumbai
Email: dietmar.hueglin @basf.com
Web: www.basf.com/in/en.html
Dietmar Hueglin holds a Diploma in Chemistry and a PhD in Natural Sciences, both from University Freiburg
im Breisgau, Germany. During his 33 years of career in industrial research, he assumed scientific and
management positions in Germany, Switzerland, and India. Photo-polyimides for semiconductors, developed
for OCG, Rhode Island, USA, and cosmetic UV absorbers are key products from his own research activities.
Both gained world-wide acceptance in their markets. He is key author of 45 US patents and numerous written
and oral papers. For his contributions to progress in applied chemical sciences he received the Sandmeyer
Award 2004 from the Swiss Chemical Society. In 2011 he was honoured with the BASF Innovation Award,
in 2013 with the BASF Business Excellence Award. Starting in 1992, Dietmar regularly visited India for R&D
projects, business support and the relocation of a R&D centre. In 2001 he took over responsibility for Ciba’s
Research Centre in India. Dietmar commenced his present role as Director of BASF’s Innovation Campus
Mumbai in January 2018.
53
CO2 Capture and Valorization to high value Chemicals:
BPCL Initiatives
Chiranjeevi Thota
Corporate R &D Centre, Bharat petroleum Corporation Ltd., Greater Noida, U.P.
201 301, Tel: 0120-2354127, [email protected]
Abstract
The ever-increasing reliance on existing fossil fuels has not only put us to the threshold limit of exhausting non-
renewable energies but also caused serious problems in the environment by accumulating significant amounts of
greenhouse gas CO2. A recent study mentioned that about 35.7 Gt of CO2 will be released into the atmosphere by 2035.
The chemical transformation of carbon dioxide into useful products becomes increasingly important as CO 2 levels in
the atmosphere continue to rise because of human activities. It emphasizes the necessity of creating appropriate schemes
for capturing and utilizing CO2 to decrease its net emissions. Instead of looking at CO2 emissions as a threat, it can be
viewed as a highly valuable resource/feedstock to transform it into various other chemical forms. One of the strategies
to reduce CO2 concentration in the atmosphere is its capture and usage (CCU). CCU would reduce greenhouse gas
emissions into the atmosphere, using CO2 as an economical, safe, and renewable source of carbon to obtain chemicals
and fuels.
As per the COP26 declaration, India is committed to the NetZero goal by 2070. In line with this BPCL has committed
to be net zero by 2040. Current communication details the BPCL initiatives with respect to committed NetZero targets.
References
[1] G. Centi, S. Perathoner, Greenh Gases Sci Technol 1 (2011) 21–35.
[2] S.-A. Park, H. Tak H, Ann Reg Sci 49 (2012) 261–87.
[3] W. Wang, S. Wang, X. Ma, J. Gong, Recent advances in catalytic hydrogenation of Carbon Dioxide. Vol. 40. 2011.
[4] F. Koschany, D. Schlereth, O. Hinrichsen, Appl. Catal. B: Environ. 181 (2016) 504–516.
Dr. Chiranjeevi Thota

Deputy General Manager Head Catalysis Group, Corporate R&D Centre
Bharat Petroleum Corporation Ltd Plot No.2A, Udyogkendra Surajpur,
Greater Noida, Uttar Pradesh
Landline: 0120-2354127
Mobile: 9810879572
E-mail: [email protected] [email protected]
Chiranjeevi Thota is a Deputy General Manager at the Corporate R&D Centre, Bharat Petroleum Corporation,
India. His areas of interest include refinery and petrochemical catalysts and catalytic processes, Alternate fuels
& C1 Chemistry, and he holds a PhD from Indian Institute of Petroleum, Dehradun. He secured post-doctoral
offers from Leipzig University Germany and Hokkaido University, Japan. He Joined Bharat petroleum
corporation’s corporate R&D centre in 2001. He has over 21 years of research experience in petroleum
refining, Petrochemicals, Bio fuels and Fuel additives. He published 79 research papers in International and
National Journals/seminars, 2 book chapters and several patent grants to his credit. He received Sistla
Kameshwari Young Scientist award from Catalysis Society of India in 2013 and U Satyannarayana gold medal
from Andhra University in 1997. He is a recipient of many other prestigious awards viz, Golden Peacock Eco
innovation award, Petrofed Innovator of the year Award, FICCI awards for sustainable green product and
green process, CII Most innovative project Award, Frost and Sullivan Awards, Green Tech Quality and
innovation award, and Hindustan platinum award etc.
54
Insight into Industrial Catalysis
Sharad Lande
Research & Development Centre, Reliance Industries Ltd. Mumbai, India.
Abstract
Petroleum and petrochemical industries have revolutionized our life and are providing the major basic needs
of rapidly growing, expanding and highly technical civilisation as a source of energy for domestic, industrial,
transport sectors and as feedstock for fertilisers, synthetic fibers, synthetic rubbers, polymers, intermediates,
explosives, agrochemicals, dyes, and paints etc. Heterogeneously catalysed processes constitute the basis for
a large number of chemical technologies employed nowadays. The use of materials such as: Al2O3, SiO2,
TiO2, Zeolites and supported metal catalysts among others, has a rich history of success in the production of
heterogeneous catalysts. The present talk will discuss about impact of industrial heterogenous catalysis,
concept to commerclization stages, challenges and future opportunities.
References
1. S. K. Agrahari, Sunil Bhoir, Sharad Lande, Sunil Peter, Chintansinh Chudasama, RV Jasra, Indian Patent
Application No. 202221032497 dated June 07, 2022.
2. S. K. Agrahari, Sunil Bhoir, Sharad Lande, Sunil Peter, Chintansinh Chudasama, RV Jasra, Indian Patent
Application No. 202221032529 dated June 07, 2022.
3. Mangesh Sakhalkar; R. Choudhury; V. Bhakthavatsalam; Sharad Lande; Jeevan Pradhan; S. Chandra,
Journal of Molecular Structure, 2020, 128936
4. Mangesh Sakhalkar, Pavankumar Aduri, Sharad Lande, Sudeshna Chandra, Clean Technologies and
Environmental Policy, 2020, 22, 59–71.
5. Sharad Lande, KV Murthy, S. Unnikrishnan, N. Sharma, S.D. Vaidya, R. Dongara &
K.R.Krishnamurthy PCT/IN2012/000757
6. P.A.Ganeshpure & Sharad Lande, Indian Patent No. 269559, 2015.
7. S.D. Vaidya, Sharad Lande, S.Unnikrishnan, Kalpana G., R.V. Jasra, US9511356B2, 2015
Dr. Sharad Lande

Assistant Vice-President (R&D) Reliance Industries Ltd.
Mumbai, Email: [email protected]
Web: https://www.linkedin.com/in/dr-sharad-lande- frsc-uk-fics-590a994/
Dr. Sharad Lande did Ph.D. in Chemistry (Receipent of Gujarat Ambuja Cement best Ph.D. thesis award 2005)
from ICT (UDCT) Mumbai with Padma Shri Prof. G.D. Yadav. He did Post Doctorate research at University of
Ottawa, Canada for 2 years. He joined Reliance in 2007 currently working as AVP(R&D) at RIL, Mumbai. He has
more than 20 years of research experience in the field of heterogeneous catalysis, Adsorptive purification,
Nanomaterials for VOCs removal & CO2 Purification. He has significantly contributed for 8 technologies
development commercialized from lab scale to commercial scale & 7 on pilot scale which are ready for
commercialization. 53 patents filed in various countries and out of which 15 granted in India & abroad, 50
international & conference publications. Elected as a Fellow of Royal Society of Chemistry, London, UK, 2022;
Winner- CII Industrial Innovation Awards 2021 for commercialization of in-house developed Catalyst&
Adsorbents; Performance Excellence Award in Leadership 2021 by Global Education & Corporate Leadership
(GECL-2021); Elected as a Fellow of Indian Chemical Society 2021; National Distinguished Researcher Award
2021, by the International Institute of organized Research; Selected Finalist for International Hydrocarbon
Processing 2021 Award for Best Petrochemical Technology for adsorptive process; Selected as Member of CII
National Committee on Technology, R&D & Innovation 2022-23.
55
Correlating Chemical and Electrochemical Catalysis
Arindam Sarkar
Department of Chemical Engineering,Indian Institute of Technology Bombay, Mumbai, India.
Abstract
In this work, we present experimental data on chemical as well as electrochemical oxidation of simple ions
and complex organic molecules. The results provide compelling evidence that chemical catalysis is a
manifestation of electrochemical charge transfer reactions and indeed the present research work tries to
establish that a catalytic chemical reaction over a metallic catalysts can be analyzed using the mixed potential
theory (MPT) which is traditionally used for electrochemical reactions. The products and their respective
concentrations obtained for both the chemical oxidation with molecular oxygen as well as the electrochemical
oxidation were found to be in excellent agreement. The data presented here suggest that at molecular level,
catalytic chemical oxidation on heterogeneous catalyst involves transfer of electrons from the molecule to
oxygen via two or more electrochemical reactions through the catalyst.
References
1. N. L. Chauhan, V. Dameera, A. Chowdhury, V. A. Juvekar, A. Sarkar, Catal. Today., 2018, 309, 126
2. N. L. Chauhan, V. Dameera, V. A. Juvekar, S. M. Mahajani, A. K. Suresh, A. Sarkar, J. Electro. Soc., 2018, 165, H196
3. N. L. Chauhan, V. A. Juvekar, A. Sarkar, Electrochem. Sci. Adv., 2021, 1-7
Prof. Arindam Sarkar

Department of Chemical Engineering,
Indian Institute of Technology Bombay, Mumbai
Web:
Arindam Sarkar obtained his B.E. Degree in Mechanical Engineering (2001) from Pandit Ravishankar Shukla
University Raipur, MTech. degree (2004) from the Indian Institute of Technology Bombay in Energy systems
and Engineering, and his Ph.D. Degree (2009) from the University of Texas at Austin. He did his postdoctoral
work at Lawrence Berkeley National Laboratory, California from 2009 to 2011. Arindam returned to India in
2012 and joined the Department of Chemical engineering at the Indian Institute of Technology Bombay as an
assistant professor. Arindam’s research interests span the areas of fuel cells and electrolyzers, electrochemical
energy storage technologies (metal-air and redox-flow batteries), chemical synthesis, characterizations
(material and electrochemical) and evaluation of electrocatalysts, development of electrocatalysts for
oxidation of small organic molecules (formic acid, methanol, ethanol, etc.), efficient reduction of atmospheric
carbon dioxide to fuel, and electroanalytical techniques. A common thread in his research and academic
interests is the development of efficient and clean energy conversion and storage devices and the mitigation
of greenhouse gases through electrochemical means. He has 37 peer-reviewed publications, one Indian patent
granted on the chemical synthesis of mono-layer catalysts, and one Indian patent applied for rechargeable Zn-
air batteries.
56
Electron Microscopy Imaging of Electron Beam-Sensitive Materials
Yu Han
Division of Chemical and Life Sciences & Engineering King Abdullah University of Science and Technology
*E-mail address: [email protected]
Abstract
This presentation will focus on our recent works pertaining to the high-resolution imaging of electron beam-
sensitive materials using ultralow electron doses. The following technological advances will be discussed.
First, the development of a suite of methods to address the challenges peculiar to low-dose TEM imaging,
including rapid search for crystal zone axes, precise alignment of the image stack, and accurate determination
of the defocus value, enables efficient imaging of electron beam-sensitive crystalline materials in the high-
resolution TEM (HRTEM) mode. Second, integrated differential phase contrast STEM (iDPC-STEM) has
proven to be an effective method for acquiring directly interpretable atomic-resolution images under low-dose
conditions. Third, cryogenic focused ion beam (cryo-FIB) has demonstrated a unique power to prepare
(S)TEM specimens for highly sensitive materials. Finally, I will share my views on the great potential of four-
dimensional STEM (4D-STEM) in imaging highly electron beam- sensitive materials and provide preliminary
results to demonstrate its feasibility.
Prof. Yu Han
Principal Investigator
Advanced Membranes and Porous Materials (AMPM) Center
Division of Chemical and Life Sciences & Engineering
King Abdullah University of Science and Technology (KAUST)
Web Page: https://nfm.kaust.edu.sa/
Dr. Yu Han is a materials chemist and his research is focused on nanoporous and nanostructured materials,
including ordered mesoporous materials, hierarchically structured zeolites, porous organic polymers, porous
carbons, and metallic plasmonic nanocrystals. His ability to precisely control the structure and morphology
of these materials promoted his great success in developing novel applications for them in gas
adsorption/separation, heterogeneous catalysis, and nanophotonics. Dr. Han also has expertise in electron
microscopy and electron tomography, using which he has successfully solved or identified some complex
nanostructures. Dr. Han has published > 180 research articles in prestigious journals including Science,
Nature, Nature Materials, Nature Chemistry, Nature Nanotechnology, Nature Catalysis, Nature
Communications, JACS, and these papers have been cited over 12,000 times with h-index of 54. His
achievements have garnered international recognition. In 2004, he was named as a TR100 Young Innovator
by the Massachusetts Institute of Technology’s magazine of innovation, Technology Review. In 2006, he was
awarded the Young Scientist Award by the Singapore National Academy of Science. In 2016, he got the
Cheung Kong Scholar award, the highest academic award issued to an individual in higher education by the
Ministry of Education of the People's Republic of China.
57
Plasmons: From Light to Chemicals
Jacinto Sá
Department of Chemistry-Angstrom, Uppssala University, Uppsala, Sweden.
Abstract
Plasmonic is a gapless material that absorb light via highly effective resonance process. If properly harnessed,
it can be disruptive and transformative. In 2013, my group provided the first evidence for hot-carrier formation
upon plasmon excitation,1 catalysing the interest in direct hot carrier utilization. Hot carriers’ lifetime could
be expedited by transferring them into suitable acceptors sequentially2 or simultaneously3 that is necessary to
make a photovoltaic. Remarkably the plasmon carrier kinetic energy increased with medium temperature,3
antagonistic to other photovoltaic materials, opening the possibility for photovoltaics that operate at high
temperature. In this lecture, I will present the plasmonic materials unique photophysical processes leading to
electrical carriers’ generation and how we can harvest them and their application in photocatalysis.
References
1. J. Sá*, G. Tagliabue, P. Friedli, J. Szlachetko, M. H. Rittmann-Frank, F. G. Santomauro, C. J Milne, H. Sigg. Energy
Environ. Sci. 2013, 6, 3584.
2. a) M. V. Pavliuk, A. B. Fernandes, M. Abdellah, D. L. A. Fernandes, C. O. Machado, I. Rocha, Y. Hattori, C. Paun, E. L.
Bastos, J. Sá*. Sci. Rep. 2017, 7, 8670, b) G. Tagliabue, J. S. DuChene, M. Abdellah, A. Habib, D. J. Gosztola, Y.
Hattori, W.-H. Cheng, K.Zheng, S. E. Canton, R. Sundararaman, J. Sá*, H. A. Atwater. Nat. Mater. 2020, 19, 1312; c) L.
van Turnhout, Y. Hatorri, J. Meng, K. Zheng, J. Sá*.Nano Lett. 2020, 20, 8220; d) Y. Hattori, S. G. Álvarez, J. Meng, K.
Zheng, J. Sá*.ACS Appl. Nano Mater. 2021, 4, 2052.
3. Y. Hattori, M. Abdellah, J. Meng, K. Zheng, J. Sá*.J. Phys. Chem. Lett. 2019, 10, 3140.
4. Y. Hattori, J. Meng, K. Zheng, J. Kullgren, P. Broqvist, P. Nordlander, J. Sá*.Nano Lett. 2021, 21, 1083.
Prof. Jacinto Sá
Full Professor,
Department of Chemistry-Ansgtrom,
Uppsala University, Uppsala, Sweden
Web: https://www.kemi.uu.se/angstrom/research/physical-chemistry/research-groups/sa/
Full professor of Physical-Chemistry at Uppsala University and associate professor at Institute of Physical
Chemistry, Polish Academy of Sciences, Poland. Also, CTO & co-founder of Peafowl Plasmonic. Graduated
from the Universidade of Aveiro, Portugal with master thesis at TU Vienna, Austria (2003), PhD from the
University of Aberdeen, the UK (2007). Postdoc and senior research at Queen's University Belfast (UK), ETH
Zurich, Paul Scherrer Institute and EPFL (Switzerland) and TU Munich (Germany). Since 2014 appointed at
Uppsala University, Sweden and Institute of Physical Chemistry, Polish Academy of Sciences, PolandMy
research focuses on light-matter fundamental interactions, specifically how light is converted into electrical
charges on plasmonics. We use advanced laser-based spectroscopies (infrared, optical and X-ray) to resolve
the processes in real-time. The acquired understanding guides the development of photosystems for producing
chemicals and fuels and ultrathin photovoltaics that are fully transparent and colourless "invisible solar cells".
The latter led to the creation of Peafowl Plasmonics AB, which uses these solar cells as energy harvesters to
power intelligent devices, such as IoT sensors, e-paper displays, dynamic glass, and eventually wearables.
58
Utilizing 2D Materials for Sustainable Energy: A Theoretical Perspective
Nirpendra Singh
Department of Physics, and Center for Catalysis and Separation (CeCaS), Khalifa University of Science and
Technology, Abu Dhabi 127788, United Arab Emirates (UAE)
Abstract
Catalytic reduction of water to molecular hydrogen through hydrogen evolution reaction (HER) and CO 2
hydrogenation are promising ways for global sustainability. CO2 hydrogenation is a challenging process due
to the thermal stability of CO2. Two-dimensional (2D) materials are an exciting class of catalysts for various
reactions because of their high surface area-to-volume ratio, unique physical and chemical properties, tunable
electronic states, and high chemical stability. In this talk, I will first present an overview of 2D materials for
catalysts. I will highlight the vital role of mixed functionalization (O, OH, and F) of the Sc2C MXene surface
in activating the basal plane. In the mixed-functionalized Sc2C case, only O sites allow CO2 reduction (F and
OH are inactive) and finally convert into methane (CH4). The calculated Gibbs free energy confirms the
conversion of HCO into H2CO with a limiting potential of 1.38 eV. Our study showed the role of different
functional groups in achieving efficient CO2 catalytic activity. In the next part, I will discuss the catalytic
properties of two- dimensional VGe2N4 and NbGe2N4 monolayers, belongs to new 2D van der Waals (2D
vdW) MA2Z4 family, using the first-principles calculations. Our results show that the catalytic activity of
VGe2N4 and NbGe2N4 is sensitive to the applied strain. A 3% tensile strain results in the adsorption of Gibbs
free energy (ΔGH*) of hydrogen for the NbGe2N4 monolayer of 0.015 eV, indicating better activity than Pt
(−0.09 eV). Our findings imply the great potential of the VGe2N4 and NbGe2N4 monolayers as electrocatalysts
for HER activity.
References
1. M. R. Sahoo, A. Ray, Nirpendra Singh, ACS Omega (2022).
2. A. Yadav, Vikram, Nirpendra Singh, and A. Alam, Phys. Rev. Applied (2022)
3. Abhishek Sharan, Muhammad Sajjad, David J. Singh, and Nirpendra Singh, Phys. Rev. Materials (2022)
4. Nirpendra Singh and U. Schwingenschlögl, Advanced Materials 29, 1600970 (2017).
Prof. Nirpendra Singh

Assistant Professor, Department of Physics,
Khalifa University of Science and Technology,
Abu Dhabi, United Arab Emirates (UAE)
Prof. Nirpendra Singh is an Assistant Professor of Physics and a member of the Center of Catalyst for
Separation (CeCaS) at Khalifa University. Dr. Singh specializes in the computational discovery and utilization
of two-dimensional (2D) materials for green energy applications. His leading research focuses on the
electronic, thermal transport, and catalytic properties of 2D materials. Dr. Singh has co(authored) more than
90 peer-reviewed articles in esteemed journals such as Advanced Materials and Advanced Functional
material, Nano Energy, Small, and Physics Review Applied, having an h- index of 22 and citations over 1900.
He recently joined an Editorial Board Member of Materials Today Physics. Dr. Singh has won research
grants of USD 1 M based on the applications of 2D materials in renewable energy.
59
Origin of enhanced overall water splitting efficiency in aluminium-doped SrTiO3
photocatalyst revealed by in-situ charge carrier dynamics study
Dharmapura H. K. Murthy1,2, Vikas Nandal1, Hiroyuki Matsuzaki1, Takashi Hisatomi3 ,
Kazuhiko Seki1, Ryuzi Katoh4, Kazunari Domen3,5 and Akihiro Furube1,6
1
National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba Central, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568,
Japan; 2Department of Chemistry, Centre for Renewable Energy, Manipal Institute of Technology, Manipal Academy of Higher Education,
Manipal 576104, Karnataka, India; 3Research Initiative for Supra-Materials, Shinshu University, 4-17-1 Wakasato, Nagano-shi, Nagano 380-
8553, Japan; 4Department of Chemical Biology and Applied Chemistry, College of Engineering, Nihon University, Koriyama,
Fukushima 963-8642, Japan; 5Office of University Professors, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113- 8656,
Japan; 6Institute of Post-LED Photonics, Tokushima University, 2-1 Minamijosanjima-cho, Tokushima 770- 8506, Japan.
Sunlight-driven photocatalytic water splitting process is promising to generate H2 using a simple and cost-effective
method. Despite these advantages and prospects, the photocatalytic approach is commercially feasible only after the
successful demonstration of efficient, stable and large-scale solar H2 generation. Over the last decade, intense efforts
have been made to enhance solar to hydrogen (STH) conversion efficiency towards 5-10%. In this direction,
photocatalytic overall water splitting (OWS) forms one of the promising approaches. In OWS, stoichiometric amounts
of H2 and O2 are generated by a one-step excitation of a photocatalyst having conduction (CB) and valence band (VB)
positions straddled with the reduction and oxidation potential of water.
Recent work demonstrated that OWS via particulate photocatalyst is an emerging technology for durable and scalable
production of H2 under ambient sunlight conditions. Aluminium (Al)-doped SrTiO3 (Al:STO) photocatalyst has
exhibited an apparent quantum efficiency of close to unity and operational stability surpassing 250 days for solar H2
production from 100 square meter photocatalyst modules.1,2 Though a superior OWS activity was achieved with Al
doping of STO (compared to non- doped), a mechanistic insight behind the role of Al doping in enhancing the
photocatalytic performance remains unknown. In this work, the origin of enhanced OWS activity in Al:STO is
unraveled by comparing charge carrier dynamics from sub-picoseconds to milliseconds is measured using two
complementary time-resolved techniques, transient absorption (TA)3,4 and microwave photoconductance (TRMC)
spectroscopy. Our results revealed significantly prolonged lifetimes for both electrons and holes in Al:STO than the
undoped SrTiO3. From theoretical analysis, such extended photocarrier lifetime is attributed to the reduced equilibrium
electron density and bimolecular recombination upon Al doping. Next, we conducted in-situ carrier dynamics
experiments in water with Rh metal cocatalyst loaded on Al:STO that enhance H2 evolution efficiency by facilitating
electron transfer process. Results showed sub-nanosecond electron transfer, concurrently extending hole lifetime up to
milliseconds, thus favouring OWS.
Correlating charge carrier dynamics with the properties of the photocatalysts offers unique insights on the fundamental
charge loss processes in OWS reaction. Such information helps in rational design of new photocatalysts via
defect/materials engineering to realize cost-effective and scalable sunlight- driven green H2 production.
References:
1. Takata, T., Jiang, J., Sakata, Y. et al. Nature, 2020, 581, 411–414
2. Nishiyama, H., Yamada, T., Nakabayashi, M. et al. Nature, 2021, 598, 304–307
3. Murthy, D. H. K., Matsuzaki, H. et al. Chem. Sci., 2019,10, 5353-5362
4. Murthy, D. H. K., Matsuzaki, H. et al. Sustainable Energy Fuels, 2019,3, 208-218
Prof. Murthy Dharmapura
Associate Professor, Department of Chemistry & Center for Renewable Energy
Manipal Institute of Technology,
Manipal Manipal Academy of Higher Education (MAHE)
Manipal - 576104, Karnataka, India
Dr. Murthy Dharmapura received Ph.D. in Chemical Engineering from Delft University of Technology
(TU Delft), The Netherlands in 2014. His Ph.D. work offered key mechanistic insights on the charge photogeneration,
transport and recombination processes in organic solar cells. Later, he joined National Institute of Advanced Industrial Science
and Technology (AIST), Tsukuba, Japan as a Special Researcher and continued for four years. In Japan, he worked in an
industry/academia consortium project called ARPChem (Artificial Photosynthetic Chemical Process) headed by Professor
Kazunari Domen from Tokyo University. In this project, Dr. Murthy screened and elucidated fundamental charge loss
processes limintng soalr H2 generation efficeincy in 30+ different types of photocatalysts. This collective insight immensely
contributed in realizing scalable and efficient solar H2 generation. After moving to India in 2020, he worked in an industry-
sponsored project related to high- temperature fuel cell and electrocatalytic conversion. He is one of the PIs in a collaborative/
interdisciplinary project called Integrated Clean Energy Materials Acceleration Platform (IC- MAP) on bio energy and
hydrogen technology, funded by Department of Science and Technology (DST).
60
Janus 2D Materials for Spin Manipulted Photoelectrochemcial H2 Generation
Praveen Kumar
School of Materials Science, Indian Association for the Cultivation of Science, Kolkata-700032, India
*Email: [email protected]
Abstract:
The co-existence of superior catalytic property and strong spin-orbit-coupling (due to structural inversion
asymmetry) in two-dimensional polar Janus MoSSe is expected to have spin-dependent catalysis under an
external magnetic field. In my presentation, I will demostrte a proof-of-concept of the benign role of an
external magnetic field in photoelectrochemical water splitting utilizing both spin and catalytic properties of
MoSSe. Photocathodes are fabricated by directly growing a few layers Janus MoSSe on silicon nanowire by
solvothermal method. Delaminated Mo2C-Tx MXene is employed to enhance the charge transport. Density
functional theory calculations are carried out to comprehend the spin-dependent charge separation
mechanism. Due to the synergic effect, the optimized Mo2C-Tx/MoSSe/SiNW photocathode shows a 52%
increase in the photocurrent under the 0.4 T magnetic field at zero bias. These findings will offer a fertile
ground to cultivate asymmetric two-dimensional material for a wide range of applications.
References:
1. Journal of Physical Chemistry Letters 13 (2022) 1334
2. Chemical Engineering Journal 435 (2022) 134963
3. Nano Energy 87 (2021) 106119
4. Renewable & Sustainable Energy Reviews 135 (2021) 110391.
5. ACS Applied Materials & Interfaces 12 (2020) 28792
6. ACS Applied Materials & Interfaces 12 (2020) 37218
7. ACS Applied Energy Materials 3 (2020) 6834
8. Chemical Engineering Journal 397 (2020) 125415.
9. ACS Applied Materials & Interfaces, 12 (2020) 13797.
Prof. Praveen Kumar

School of Materials Sciences,
Indian Association for the Cultivation of Science, Kolkata Email:
[email protected]
Web: http://iacs.res.in/faculty-profile.html?id=123
Dr Praveen is working as an Assistant Professor at the Indian Association for the Cultivation of Sciences
(IACS), Kolkata. He did his PhD from the Department of Physics, Indian Institute of Technology, Delhi,
followed by postdoctoral research at ISOM, UPM Madrid, Spain, as a Marie Curie Fellow. He is an Editorial
Board Member of Materials Letters (Elsevier) and Nanotechnology (IOP) Journals. He is also a Chair of
Career Development Working Group of Marie Curie Alumni Association (MCAA) funded by the European
Commission. He is a member of The National Academy of Sciences (NASI), India and Indian National Young
Academy of Sciences (INYAS). He is a recipient of several recognized awards and fellowships, including
Fullbright Nehru Professional Excellence Fellowship, MRSI Medal, MCAA Societal Impact Award, DAE
Young Achiever Award, BRICS Young Scientist Award, INSPIRE Faculty Award, Marie Curie Postdoctoral
Fellowship. Dr Praveen’s research contribution covers a broad spectrum of Materials Science, including III-
V semiconductors, 2D-Materials, MXenes, Carbon Nanostructures for various energy harvesting (PEC water
splitting, CO2 reduction, Broadband photodetectors) & storage (Supercapacitors) applications. He has
authored 89 publications in peer-reviewed international journals, filed 04 patents, more than 75 in conference
proceedings, 09 books/chapters, and delivered around 65 invited talks around the globe.
61
Catalytic Amidation a Greener and Economical Alternative
Dinesh Nanaji Sawant
Organic Chemistry Division, CSIR National Chemical Laboratory, Pune, India.
Abstract:
Amide derivatives are very important molecules in the pharmaceutical industry, notably up to 65% of drug
molecules contain amide units in their structure. In addition, amides are widely used in agrochemical
production, pesticides, and polymers materials such as synthetic silks, nylon, etc. Notably, most of the
chemical and pharmaceutical industries still use various coupling or activating agents for amide synthesis
resulting in the generation of a stoichiometric amount of waste that is toxic to the environment and has a poor
atom economy. Therefore, American Chemical Society Green Chemistry Institute Pharmaceutical Roundtable
(ACS GCIPR) has identified an Amide bond forming reaction by avoiding poor atom economy reagents as
the high priority area of research for the pharmaceutical industry. We are trying to address this challenge by
developing new catalytic, economical, and environment-friendly protocols for amide synthesis. Based on our
continuous interest in developing new methods for catalytic amidation so far, we have explored phosphorus1
and boron- based catalysts,2-3 metal catalysts.4-5 Currently, catalytic amide synthesis is one of our main
focus area of research.
References
1. Movahed, F.S., Sawant, D.N., Bagal, D.B., Saito, S.Synthesis, 2020, 52, 3253–3262
2. D. N. Sawant, D. B. Bagal, S. Kaliyamoorthy, S. Ogawa, S. Saito, Organic Letters, 2018, 20, 4397–4400
3. S.G. Ghorpade, D. N. Sawant, N. Sekar, Tetrahedron, 2018, 74, 6958–6955
4. D. N. Sawant, Y. S. Wagh, P. J. Tambade, K. D. Bhatte, B. M. Bhanage, Adv. Synth. Catal., 2011, 353, 781-787.
5. D. N. Sawant, Y. S. Wagh, K. D. Bhatte, B. M. Bhanage, J. Org. Chem. 2011,76, 5489–5494.
Dr. Dinesh Nanaji Sawant

Scientist, Organic Chemistry Division,
CSIR National Chemical Laboratory, Pune
Web: http://academic.ncl.res.in/dn.sawant
Since December 2019, Dr. Dinesh Sawant has been working as a Scientist at the Organic Chemistry Division,
National Chemical Laboratory Pune (NCL Pune). He received his Ph.D degree with the Best Ph.D Thesis
Award from the Institute of Chemical Technology, Mumbai (2008-2012, Guide: Prof. B. M. Bhanage). He
did post-doctoral research in Artificial Metalloenzymes with Prof. Jorg Eppinger at KAUST Saudi Arabia
(2012-2016). After that, he conducted subsequent postdoctoral research on catalytic hydrogenation and
dehydration reactions with Nobel Laureate Prof. Ryoji Noyori’s research group at Nagoya University, Japan
(2016-2017). In his last post-doctoral research, he did research on catalysis for energy with Prof. Matthias
Beller at the LIKAT Rostock, Germany (2017-2018). Dinesh has published 25 international publications cited
>750 times (h-index 15). Department of Science and Technology has recognized him by awarding him the
Young Scientist Award (SERB Start-Up Grant) in 2015. INSA has recognized him by awarding DST
INSPIRE Faculty Award in 2017. He served as DAAD Germany Research Ambassador for India (Honorary
position, 2018-2022). Dinesh is also the founder of the NGO “Sawant Innovative Foundation” which works
to promote scientific education among rural students.
62
Optimization of Carbon Based Nanomaterials for Photocatalytic Solar
Hydrogen Production: Towards Cost-effective and Eco-friendly Approach
Santanu Bhattacharyya
Department of Chemical Sciences, IISER Berhampur, Berhampur, Odisha 760010, India.
One of the alarming problems of modern civilization is global warming due to the inevitable rise of CO2 in
the environment, mainly because of the excessive use of traditional fossil fuels. The gradual depletion of fossil
fuels is another challenge regarding the future energy demand; therefore, alternative renewable energy
research is necessary. One of the alternative approaches is the solar fuel generation by means of photocatalytic
water splitting and more specifically, hydrogen evolution from water through the reductive half-reaction.
Hydrogen is the cleanest fuel and does not produce any greenhouse gas upon direct combustion, or even while
acting as a chemical feedstock for other transportable fuel generation. Therefore, it is desirable to produce
efficient photocatalysts for solar water splitting. Till date several advancements have been made with metal-
based inorganic semiconductor photo-catalysts. However, their practical applicability is still under debate
considering the environmental sustainability, stability and economical expenses. As a result, it is essential to
develop alternate photocatalysts that are environmentally sustainable, cost-effective, stable and highly
efficient. The metal-free approach is one of the most promising approaches in contrast to the traditional metal
based photocatalysts. In this regard, our major focus is to optimize carbon- based materials and their hybrids
as alternative metal free photocatalysts for solar H2 production. It includes the rectification of exciton
generation, charge separation and interfacial photochemical processes for photocatalysis, followed by possible
optimization pathways of these typical all carbon-based materials.
References:
1. Chemistry-A European Journal, 2022, https://doi.org/10.1002/chem.202202023
2. Adv. Optical Mater. 2022, 10, 2102641
3. Nature Communications 8 (1), 1401 (2017)
4. Nano Letters 15 (9), 6030-6035 (2015)
5. ACS Catalysis 8 (4), 3602-3635, (2018)
Prof. Santanu Bhattacharyya

Department of Chemical Sciences
IISER Berhampur
Berhampur-760010, Odisha, India
Dr Santanu Bhattacharyya received his Ph.D. (Science) from the Indian Association for the Cultivation of
Science, Kolkata in 2013. He was subsequently a postdoctoral scientist in IMDEA Nanociencia, Madrid, and
later in 2015, he joined the Chair for Photonics and Optoelectronics, LMU, Munich, as an Alexander Von
Humboldt fellow. After finishing his postdoctoral stay in Germany, he has joined as an Assistant Professor in
the Department of Chemical Sciences, IISER Berhampur since August 2018. His group mainly focuses on
several light-induced processes in fluorescent nanomaterials and the optimization of environmentally
sustainable nanomaterials for solar fuel generation.
63
Utilization of Carbon Dioxide for making Biodegradable Polymers and Post
Polymerization Functionalisation
Gulzar A. Bhat
Centre for Interdisciplinary Research and Innovations (CIRI), University of Kashmir, Srinagar, India.
Abstract
Utilization of CO2 had witnessed intense research activity from scientific community mainly due to climate
change considerations. In our laboratory we have a long-term interest in using CO2 as C1 feedstock during
the catalytic coupling of epoxides and CO2 to achieve polycarbonate polymers. Thus capturing CO2 from point
sources and further its utilization as a C1 feedstock can result in cheaper and cleaner production processes.
Thus, the idea of utilizing CO2 for creating valuable products might reduce the overall cost for removal of
carbon dioxide from the atmosphere. Although tremendous progress has been achieved, the aliphatic
characteristics and lack of functionalities of these polymers limit the scope of their application in high value-
added and functional materials. Recently we have employed different approaches for introducing
functionalization in these polycarbonates which directed their applications in areas such as self-healing
materials, polyurethane industry, inks for 3D printing and as conducting polymers.
References
1. Bhat, G. A*.; Darensbourg, D. J*., Green Chem. 2022, 24 , 5007-5034.
2. Sengoden, M.; Bhat, G. A*.; Darensbourg, D. J*.,. Green Chem. 2022, 24 , 2535-2541.
3. Bhat, G. A.; Rashad, A. Z.; Ji, X.; Quiroz, M.; Fang, L.; Darensbourg, D. J *., Angew. Chem. Int. Ed.
2021, 60, 20734-20738.
4. Wei, P.; Bhat, G. A.; Cipriani, C. E.; Mohammad, H.; Schoonover, K.; Pentzer, E. B.; Darensbourg, D. J. *
Angew. Chem. Int. Ed. 2022, e202208355: DOI: 10.1002/anie.202208355
5. Wang, Y.; Fan, J.; Darensbourg, D. J. * Angew. Chem. Int. Ed. 2015, 127, 10344-10348.
6. Bhat, G. A.; Rashad, A. Z.; Folsom, T. M.; Darensbourg, D. J. *,Organometallics 2020, 39 , 1612-1618.
Prof. Gulzar A. Bhat

Ramanujan Fellow, Centre for Interdisciplinary Research and Innovations (CIRI)
University of Kashmir, Srinagar, Jammu and Kashmir
Web:https://gulzar86.wixsite.com/website-1
Dr. Gulzar Ahmad Bhat has recently joined center for interdisciplinary research and innovations university of
Kashmir as Ramanujan Fellow. Dr. Bhat was Postdoc Research Fellow at Texas A&M University, College
Station,Texas USA from 2018-2021. He has a multidisciplinary academic and research background having
obtained his Ph.D. in Chemistry from Indian Institute of Technology Bombay, Mumbai India and M.Sc. in
chemistry from University of Kashmir. Dr. Bhat has published his research in highly reputed journals of RSC,
ACS, Wiley etc. Dr. Bhat has also presented his research in both national and international conferences and
is a recipient of best presentation award in the international conference on Polymers and Organic Chemistry
held in Greece. Dr. Bhat is an associate member of Royal Society of Chemistry, present member of American
Chemistry Society and lifetime member of chemical research society of India. He has successfully guided
many undergraduate students during his tenure at Texas A&M University. Dr. Bhat has also been selected as
the president of Postdoc Association of Chemistry at Texas A&M University, USA. Recently, Dr. Bhat was
awarded the prestigious Ramanujan fellowship by Govt. of India. His current research interests lie in the
valorization of CO2 by making copolymers from CO2 and cyclic ethers and their functionalization to achieve
desired properties in micellar catalysis, drug delivery and as self-healing materials.
64
Interfacial band structure enegeering and molecular CO2
interaction on heterostructure photocatalysts for CO2 reduction
Indrajit Shown
Department of Chemistry, Hindustan Institute of Technology and Science (HITS),
Chennai, India
Abstract
Artificial photocatalysts that can use solar energy to convert anthropogenic CO2 into usable compounds are
in high demand due to the growing desire for artificial photosynthesis that can turn that CO2 into valuable
molecules.1,2 The development of high-efficiency, stable, and selective photocatalysts for CO2 reduction has
received a lot of attention recently due to the growing desire for zero carbon emissions without affecting
energy demands, but there are still many obstacles to overcome before they can be used in real-world
applications. In semiconductor photocatalysis research, aspects like light absorption, CO2 adsorption, photo-
generated charge separation, and charge transport are all taken into account. Among these, incorrect band
topologies and the restricted separation of photogenerated charge carriers (e- and h+) are significant barriers
prohibiting commonly used semiconductor photocatalysts from being effective at reducing CO2.3,4 Therefore,
a comprehensive strategy is required to tackle these crucial issues and creating a successful photocatalyst for
CO2 reduction. Our most recent developments and the accompanying direct Z- scheme (ZnS/ZnIn2S4) method
revealed that interfacial charge transfer and molecule CO2 interation significantly affect photocatalytic
performance.5 The electronic band structure enegeering and mechanistic aspect of photocatalyst system for
CO2 reduction will be discussed in this presentation.
References
1. I. Shown, S. Samireddii, Y.C. Chang, R. Putikam, P-H Chang, A. Sabbah, F.Y. Fu, W-F Chen, C-I Wu, T-Y. Yu,
2. P.W. Chung, M. C. Lin, L. C. Chen, K. H. Chen, Nature Communications, 2018, 9, 169
3. F-Y Fu, I. Shown, C-S Li, C-I Wu, P-W Chung, M. C. Lin, L.C. Chen and K.H. Chen ACS Applied
Materials & Interfaces, 2019, 11, 28, 25186.
4. C. Shit, I. Shown, R. Paul, K.H. Chen, J. Mondal and L.C. Chen, Nanoscale, 2020, 12, 23301
5. T. Billo, I. Shown, A. Anbalagan, T. A. Effendi, A. Sabbah, F.-Y. Fu, C.-M. Chu, W.-Y. Woon, R.S. Chen,
C.-H. Lee, K.-H. Chen and L.-C. Chen Nano Energy, 2020, 72, 104717
6. A. Sabbah, I. Shown, F.Y. Fu, T.Y. Lin, H.L. Wu, P.W. Chung, S. Santiago, J.L. Shen, L.C. Chen, K.H. Chen,
7. Nano Energy, 2022, 93, 106809
Prof. Indrajit Shown

Professor, Department of Chemistry,
Hindustan Institute of Technology and Science, Chennai
Email: [email protected], [email protected]
Prof. Indrajit Shown, after his Ph.D. in 2008, worked as a postdoc in Japan and as a research scientist in Taiwan for a
few years before starting his own independent group at Amrita Viswavidyapeetham (University). In 2021, he moved to
Hindustan Institute of Technology and Science (HITS) (Chennai) and his group is working on the development of
various nanomaterials for advanced green energy applications such as photocatalysis (CO2 conversion), electrocatalysis
(green hydrogen generation) and energy storage (flexible supercapacitor and battery) applications. He has several high
impact publications in Nature Communications, Nano Energy, Adv. Energy Materials, Advanced Functional Materials,
Nano Letter, Small, Material Chemistry A etc. In 2014, he received first Track Young Scientist Award from DST. He
received outstanding research award at CCMS, NTU, Taiwan (2016 and 2017). He was awarded 3 rd prize as young
research scholar from IAMS, Academia Sinica, Taiwan (2018). He also received Amrita Innovation and Research award
2021.
65
Selective Hydrogenation of CO2 to CO at the Interfacial Site with Oxygen
Vacancy Created by Doping Co in ZrO2
Nazmul Shaikh, Rattanawalee Rattanawan, Min Gao, Jin Ota, Jun-ya Hasegawa, Kiyotaka
Asakura Atsushi Fukuoka* and Abhijit Shrotri*
Institute for Catalysis, Hokkaido University, Kita 21 Nishi 10, Kita-ku, Sapporo, Hokkaido 001-0021, Japan.
E-mail: [email protected], [email protected], [email protected]
Abstract
Selective CO2 hydrogenation to CO, known as reverse water-gas shift (RWGS) reaction is important because
CO is precursor for many industrially important fuels and chemicals.1 Recently, catalysts having interfacial
active sites with oxygen vacancy has emerged for CO2 hydrogenation reaction.2 Oxygen vacancy adsorbs CO2.
Adjacent metal atoms dissociate H2 and stabilize intermediates such as formate and methoxy species, which
promoted deep hydrogenation to methanol or methane. In contrast, we show that catalyst with oxygen vacant
sites can be utilized to obtain excellent CO selectivity with high activity and long-term stability by doping Co
atoms in ZrO2 matrix.3
Co doped ZrO2 catalysts were prepared using co-precipitation method. Undoped ZrO2 showed negligible CO2
conversion. All Co doped ZrO2 catalysts showed much higher CO2 conversion with CO selectivity more than
94%. The activity of Co-10-ZrO2 ((Co/Co+Zr) = 10%) catalyst was better than that of non-noble metal-based
catalysts and was comparable to that of noble metal-based catalysts.3 The catalyst did not deactivate even after
400 h on stream. In comparison, a catalyst having Co nanoparticles on ZrO2 (Co/ZrO2) produced CH4 due to
the presence of metallic Co particles.
Figure 1. (a) DFT structure of Co doped ZrO2 catalyst with CO2 adsorbed as carbonate (shown in circle) (blue: Co, cyan: Zr, red: O)
and (b) Proposed mechanism of CO2 hydrogenation to CO over Co doped ZrO2 catalyst.
The catalysts were characterized to understand the effect of Co doping in ZrO 2. Co doped ZrO2 catalysts had
tetragonal crystal structure. Co single atoms were homogeneously distributed throughout the matrix without
the formation of Co clusters or particles. Co and Zr were present in +2 and +4 oxidation states, respectively.
This charge imbalance in the crystal generated oxygen vacancy near the Co atom. This oxygen deficient
interfacial site of Co single atom and neighboring Zr atoms promoted chemisorption of CO2 in carbonate form
(Figure 1a). H2 dissociation on Co atom followed by transfer of H to C atom of carbonate formed formate
intermediate (Figure 1b). Decomposition of formate species produced CO with high selectivity.
References
1. J. Bao, G. Yang, Y. Yoneyama, N. Tsubaki, ACS Catal., 2019, 9, 3026-3053.
2. N. H. M. Dostagir, C. Thompson, H. Kobayashi, A. M. Karim, A. Fukuoka, A. Shrotri, Catal. Sci. Technol., 2020, 10,
8196-8202
3. N. H. M. Dostagir, R. Rattanawan, M. Gao, J. Ota, J. Y. Hasegawa, K. Asakura, A. Fukuoka, A. Shrotri, ACS Catal.,
2021, 11, 9450-9461
Dr. Nazmul Shaikh

Postdoctoral Fellow, Institute for Catalysis,
Hokkaido University, Sapporo, Japan Email:
[email protected]
Web: https://www.cat.hokudai.ac.jp/fukuoka/indexe.html
Dr. Nazmul Shaikh received his B.Sc. degree from University of Calcutta in 2016 and M.Sc. degree from
Indian Institute of Technology Indore (IIT Indore) in 2018. He then joined Fukuoka group at Institute for
Catalysis (ICAT), Hokkaido University, Japan in 2018 as a Ph.D. student and started working on the
hydrogenation of carbon dioxide over doped metal oxide catalysts. He received his Ph.D. degree in 2021 and
joined Fukuoka group as a postdoctoral researcher afterwards. He is currently involved in the development of
oxide catalysts for selective conversion of carbon dioxide to valuable products based on the mechanistic
studies at atomic level and structure-activity relationship.
66
67
Poster Name Institute Abstract Title
No.
P-001 Ms. Sudha Malaviya National Institute of Green Biosynthesis of sunlight active zinc oxide coupled cadmium sulfide
Choudhary Technology, Jaipur nanostructures for efficient degradation of pesticides
P-002 Mr. Sourav Ramakrishna Mission Electrochemical CO2 fixation and conversion to green urea
Paul Vidyamandira, Howrah
P-003 Dr. Shounik Indian Institute of Science Heterogeneous electrocatalytic reduction of CO2 to fuels using metallocorrole
Paul Education and Research, complexes
Kolkata
P-004 Mr. Hushan Indian Institute of Technology, Atmospheric pressure conversion of carbon dioxide to cyclic carbonates using a
Chand Mandi metal-free Lewis acid-base bifunctional heterogeneous catalyst
P-005 Dr. Koyar Rani Channamma University, Advanced oxidation processes for waste water treatment: Photcatalytic
Rane Belgaum degradation of dyes in sunlight and in dark conditions
P-006 Ms. Suja P CSIR-National Institute for Graphitic carbon nitride based high density copper single atom catalyst for
Interdisciplinary Science and multifunctional applications
Technology,
Thiruvananthapuram
P-007 Ms. Sulekha Indian Institute of Science TEMPO- catalysed green electrochemical synthesis of dimeric 2-oxindole
Sharma Education and Research,
Bhopal
P-008 Mr. Deepak CSIR-Indian Institute of A mechanistic approach to design stable Ni-ceria catalyst for methane
Khurana Petroleum, Dehradun conversion to metgas
P-009 Dr. Acharya Nagarjuna Universiry, Sustainable synthesis of graphene-gold nanocomposite exhibiting catalytic
Basavaiah Guntur, Andhra Pradesh reduction and antioxidant applications
Chandu
P-010 Mr. Mohd Indian Institute of Technology, Mechanistic insights for the non-covalent interactions of organic solvents in acid
Ussama Delhi catalysed dehydration of biomass-derived lactones
P-011 Mr. Rajesh Tata Institute of Fundamental DFNS/TiO2-Cu catalyst with rich oxygen vacancies for highly efficient CO2 reduction
Belgamwar Research, Mumbai to CO
P-012 Dr. Saona Tezpur University, Assam Developing porous solids for carbon capture and hydrogen storage applications
Seth
P-013 Mr. Bhanu CSIR- Indian Institute of Selective depolymerization of eps into styrene using an alkali metal- supported
Joshi Petroleum, Dehradun Fe/γ-Al2O3 catalyst
P-014 Ms. Sujana Manipal Institute of Optoelectronic structure basis for doping-induced enhancement of photocatalytic
C Technology, Udupi, Karnataka H2 evolution rate in BaTiO3
P-015 Mr. Anil CSIR-Indian Institute of Visible light-induced N-formylation of amines with CO2 catalyzed by zinc(II)
Malik Petroleum, Dehradun phthalocyanine grafted on g-C3N4
P-016 Dr. Jitendra Bhabha Atomic Research Insights into phase behavior of confined CO2 in ultramicroporous carbon
Bahadur Centre, Mumbai
P-017 Ms. Swati Bhabha Atomic Research Adsorptive removal of CO2 using microspheres obtained by jamming of silica
Mehta Centre, Mumbai colloids and PEI
P-018 Mr. Rishi Tata Institute of Fundamental Hot-electrons of black-gold nickel as green nanocatalysts
Verma Research, Mumbai
P-019 Mr. Raj Indian Institute of Science Edge-functionalization driven improved charge transfer in covalently
Sekhar Roy Education and Research, interconnected g-C3N4 layers for enhanced photocatalytic hydrogen evolution
Mohali
P-020 Mr. CSIR-Indian Institute of CO2 conversion into light olefins (C2-C4=) over K promoted bimetallic ZrO2
Himanshu Petroleum, Dehradun Catalyst
Raghav
P-021 Mr. CSIR-Indian Institute of Direct slurry-phase hydrocracking of crude oil using trimetallic nanocatalyst
Ashutosh Petroleum, Dehradun
Rawat
P-022 Ms. Manisha Indian Institute of Technology, W-doped Bi2MoO6 nanosheets for efficient photocatalytic nitrogen fixation
Sharma Mandi
P-023 Ms. Kamlesh Indian Institute of Technology, Amine functionalized graphitic carbon nitride as a sustainable, metal- free catalyst for
Kumari Mandi Knoevenagel condensation
P-024 Ms. Chaitra Indian Institute of Technology, Hydrodechlorination of 4-chlorophenol: Mechanistic insights and rational catalyst
Shenoy Delhi design
P-025 Mr. Indian Institute of Technology, Electrocatalytic hydrogen evolution and photocatalytic organic pollutants
Bhagirath Jodhpur degradations using ZnO nanoflake/Ti3C2 MXene composites
Saini
68
P-026 Mr. Rajani CSIR-Central Leather Research Fe hotspots in nickel boride nanocatalyst unravel cooperative interactions that
Kumar Borah Institute, Chennai boost hydrogen production with enzyme-like kinetics
P-027 Ms. Poonam Indian Institute of Technology SERS study of cystine on Cu cluster : A computational approach
Bhadoria BHU, Varanasi
P-028 Dr. CSIR - Institute of Minerals and Electrochemical conversion of CO2 to formic acid and syngas using novel CuO/Bi
Senthilkumar Materials Techonolgy, (1D/2D) heterostructure electrocatalyst
Pachamuthu Bhubaneswar
P-029 Mr. University of Madras, Chennai High temperature stabilized defect pyrochlore Bi2-xFexWO6 nanostructures and its
Annamalai K effect in photo-electrochemical oxygen evolution reaction
P-030 Ms. Chaitra Poornaprajna Institute of Cycloaddition of CO2 with epoxides to yield cyclic carbonates using mixed metal
N Scientific Research, Bengaluru oxide dispersed silanol rich mesoporous SBA-15 catalyst
Mallannavar
P-031 Dr. Chanchal Bharat Petroleum Corporation Studies on CO2 valorization through syngas for direct synthesis of DME
Samanta Limited, Greater Noida
P-032 Ms. Apoorva Indian Institute of Technology, Calixarene catalysed asymmetric michael addition reaction
Malik Jodhpur
P-033 Ms. Parul Indian Institute of Science Effect of Ce doping on CoFe Layered Double Hydroxide for Heterogeneous
Aggarwal Education and Research, Water Oxidation
Bhopal
P-034 Ms. Yashly Vellore Institute of Technology, Electrocatalytic reduction of CO2 using Vitamin B12 anchored multiwalled carbon
Yesudas Vellore nanotube- chemically modified electrode
P-035 Ms. Neha Indian Institute of Technology, CO2 fixation into cyclic carbonates over recyclable Co doped ZrO2 catalyst with
Choudhary Indore solvent-free approach
P-036 Ms. Nikita Indian Institute of Technology, 3D Cu(II)-MOF with lewis acid−base dual functional sites for chemical fixation of
Guha Indore CO2 via cyclic carbonate synthesis
P-037 Ms. Shilpa CSIR-CSMCRI, Bhavnagar Organocatalyzed chemical fixation of CO2 to access spiro-cyclic carbonate
Dabas
P-038 Mr. Vipin Indian Institute of Science, Operando studies on high temperature CO2 electroreduction to CO using mixed
Kamboj Bangalore metal cathodes
P-039 Mr. Baint CSIR-Indian Institute of Hydrogenation of lignin-derived feedstocks and Bio-oil using active and stable
Singh Petroleum, Dehradun ruthenium catalyst
P-040 Ms. Neha CSIR-Indian Institute of Dehydration of bio-derived lactic acid to acrylic acid over defect-rich
Dhiman Petroleum, Dehradun molybdenum phosphosulfide
P-041 Dr. Ansari CSIR-Central Leather Research Palladium impregnated activated carbon fiber cloth from spent pd/c catalyst for
Palliyarayil Institute, Chennai low temperature co oxidation
P-042 Mr. Ganesh Indian Institute of Technology, Efficient activation of CO2 over Ce-MOF-derived CeO2 for the synthesis of cyclic
More Ropar urea, urethane, and carbamate
P-043 Ms. Athira CSIR-CECRI, Chennai Dual atom doped C,N matrix studied for ORR catalysis
K.M
P-044 Ms. Toshali Visvesvaraya National Institute Tailoring photoactivity of polymeric carbon nitride via donor-π-acceptor network
Bhoyar of Technology, Nagpur
P-045 Ms. Swathi Indian Institute of Technology, Using plasmon generated hot holes as traps for breaking C=C bonds at room
Swaminathan Kanpur temperature
P-046 Mr. Hitesh Institute of Chemica Amine regeneration over metal oxide catalysts for improved post-combustion CO2
Rawate Technology, Mumbai capture
P-047 Mr. Akash Indian Institute of Technology, Green hydrogen production from CO2-sorption enhanced steam reforming of
Chandole Mumbai biogas over Ni-based hybrid material with CaO as a sorbent
P-048 Ms. Shaifali CSIR-Indian Institute of Cellulase immobilization on magnetically separable Graphene oxide: Enhanced
Bhardwaj Petroleum, Dehradun Activity and Stability with high glucose yield
P-049 Ms. Bhavana PPISR, Bangalore Synergistic catalytic activity of core-shell Pd@UiO-66(Hf) MOF catalyst for the
B. Kulkarni one-pot hydrogenation-esterification of furfural
P-050 Mr. Narendra CSIR-Indian Institute of Shaping of MIL-101 metal-organic framework for CH4 /N2 and CO2 /CH4
Singh Petroleum, Dehradun separation
P-051 Ms. Shreya Indian Institute of Technology, Role of carbon nitride metastable states in influencing the CO2 reduction under
Singh Delhi solar irradiation: kinetics & theoretical prospects
P-052 Mr. Mohd Tata Institute of Fundamental Controlled uptake of an iridium complex inside engineered apo- ferritin
Taher Research, Mumbai nanocages: study of structure and catalysis
P-053 Mr. Indian Institute of Technology, Strong coupling guided interfacial hole transfer dynamics between CsPbBr3
Siddharth Kanpur perovskite NCs and functionalized ferrocene derivatives
Singh
P-054 Ms. Monika Indian Institute of Technology, The emergence of aqueous phase perovskite photocatalysis
Ahlawat Kanpur
69
P-055 Mr. Nibin K National Centre For Probing the hydrogen evolution efficiency of low temperature synthesized zero
Mathew Nanoscience And valent iron nanoparticles in aqueous systems
Nanotechnology ,University Of
Madras, Chennai
P-056 Ms. Iqra Indian Institute of Technology, Understanding the formation of possible intermediate in methane
Ahangar Delhi dehydroaromatization on Mo/ZSM-5 catalyst using density functional theory
P-057 Ms. Tharani PSG College of Microbial bio-templating of rice husk derived silica
D Technology,Coimbatore
P-058 Mr. Rohit Tata Institute of Fundamental Effective photocatalytic sea water splitting
Mann Research, Mumbai
P-059 Ms. Indian Institute of Science Plasmonically driven photocatalytic regeneration of nicotinamide cofactor
Vanshika Education and Research, Pune
Jain
P-060 Ms. Sonu CSIR-Indian Institute of Direct oxidation of cyclohexane to adipic acid in air over Co3O4@ZrO2
Bhandari Petroleum, Dehradun nanostructured catalyst
P-061 Mr. Tata Institute of Fundamental Host-guest charge transfer mediated C-C coupling inside water-soluble nanocages
Debojyoti Research, Mumbai
Roy
P-062 Mr. Radha Indian Institute of Science Extracting the heat out of plasmonic nanostructures for chemical and physical
Krishna Education and Research, Pune transformations
Kashyap
P-063 Mr. Sachin Indian Institute of Technology, Decomposition of SO3 over CuFe2O4 supported on silica modified β–SiC in the
Tomar Delhi sulfur–iodine cycle for hydrogen production
P-064 Mr. Mohd CSIR-Central Building Development of artificial aggregate using carbide slag and fly ash through CO2
Hanifa Research Institute,Roorkee sequestration
P-065 Ms. National Institute of Surface induced catalysis of aza-Michael addition reaction using molecular sieves
Parineeta Technology, Dimapur, as a catalyst
Das Nagaland
P-066 Mr. Amrish Indian Institute of Technology, A combined machine learning and DFT simulation approach to elucidate the
Kumar Delhi activity of doped graphene dual site catalysts for methane upgrading
P-067 Mr. Indian Institute of Technology, Ionic γ-FeO(OH) nanocrystal stabilized by the smallest isopolymolybdate cluster
Laxmikanta Delhi as reactive core for water oxidation
Mallick
P-068 Mr. Bapuji Indian Institute of Science, Enhancement of oxygen evolution activity by addition of Cr to Au supported
Mohapatra Bangalore CoOx
P-069 Ms. Parul Institute of Nano Science and Improved OER performance of an anderson-supported cobalt coordination
Sood Technology, Mohali polymer by assembling with acetylene black
P-070 Mr. Sekhar Indian Institute of Science, Strategies for suppressing H2O2 formation during oxygen reduction reaction using
Kumar Bangalore mixed metal oxide catalysts
Biswal
P-071 Ms. Shaurya Institute of Chemical Catalytic regeneration of amine-based CO2-separation solvents
Mohan Technology, Mumbai
P-072 Ms. Gunjan Tata Institute of Fundamental Highly selective photocatalytic acetylene semi hydrogenation using black gold
Sharma Research, Mumbai based nanoreactors
P-073 Ms. Ankita National Institute of Fabrication of biomass derived heterogeneous catalyst for biodiesel production
Sarkar Technology Nagaland, Dimapur
P-074 Ms. Ritu Institute of Nano Science and Nano-channel mediated electrical and photoconductivity of metal organic
Ladhi Technology, Mohali nanotube
P-075 Mr. Bishal National Institute of Organic-inorganic hybrid photocatalyst consisting of highly conjugated metal
Das Technology, Silchar complex and graphitic carbon nitride for efficient hydrogen evolution
P-076 Mr. Ankit Indian Institute of Science Antenna-reactor hybrid nanostructures for enhanced plasmonic photocatalysis
Dhankhar Education and Research,
Mumbai
P-077 Mr. Rakesh Indian Institute of Technology, Stability and efficiency enhancement in organic solar cells using self-
Suthar Delhi assembled monolayer molecules as hole transport layer
P-078 Mr. Anil CSIR-Indian Institute of Direct catalytic conversion of methane to aromatics using molybdenum supported
Chandra Petroleum, Dehradun zeolite catalyst
Kothari
P-079 Ms. Swati CSIR-Indian Institute of Highlyactive and selective Li/MgO catalyst for methane transformation to C2
Rana Petroleum, Dehradun hydrocarbons
70
P-080 Mr. Saideep Tata Institute of Fundamental CO2 Reduction by hydroxy terminated nickel nitride nanosheets using localized
Singh Research, Mumbai surface plasmon
P-081 Mr. Ashish Indian Institute of Technology, Improving water-mediated hydrodeoxygenation of vanillin using Mo incorporated
Kumar Kar Ropar Co-MOF derived MoCoOx@C
P-082 Mr. Anoop P Indian Institute of Technology, Mechanistic study on the role of lewis base addition and vanadia deposition on
Pushkar Madras ceria based catalysts for oxidative dehydrogenation of propane
P-083 Mr. Kishan Tata Institute of Fundamental Photoredox C-C coupling reactions inside supramolecular cavities
K Yadav Research, Mumbai
P-084 Mr. Paras Indian Institute of Technology, Incorporating boron into SrTiO 3 lattice for enhanced selective electrocatalytic
Kalra Delhi nitrogen reduction to ammonia at ambient conditions
P-085 Ms. Pallavi Indian Institute of Technology, Facet dependent selectivity control for the conversion of furfural to acetyl
Dandekar Hyderabad products on palladium catalyst with different solvents
P-086 Mr. Md CSIR-Indian Institute of Insight into bimetallic synergy of supported nanoparticle catalyst for efficient
Jahiruddin Petroleum, Dehradun partial oxidation of methane
Gazi
P-087 Mr. CSIR-Indian Institute of Application of flyash based acidic heterogeneous catalyst for the oxidative
Akashdeep Petroleum, Dehradun esulfurization of crude oil fraction
Karmakar
P-088 Mr. Kuntal Indira Gandhi Centre for TiO2 coated black gold over a magnetic nanoparticle - a potential material for
Kumar Pal Atomic Research- Homi removal and recovery of uranium under visible light
Bhabha National Institute,
Kalpakkam
P-089 Ms. Ashida P CSIR-CECRI Madras Functionalized Ketjen black stabilized Mo and Fe single atoms for
H Complex,CHENNAI electrochemical nitrogen reduction reaction
P-090 Mr. Pankaj Indian Institute of Technology, 2-D nanosheet of Cu2(OH)3(NO3)/ZnO composite for electrochemical CO2
Kumar Singh Mandi Reduction
P-091 Mr. Antarip Indian Institute of Science Halide-free catalytic carbon dioxide fixation of epoxides to cyclic carbonates
Mitra Education and Research, under atmospheric pressure
Kolkata
P-092 Mr. Satyajit CSIR-Indian Institute of Co promoted enhanced biogas reforming over Ni modified alumina
Panda Petroleum, Dehradun
P-093 Mr. Siddhant Vishwakarma Institute of Synthesis of nanomaterials for energy harvesting and storage
Dhende Technology, Pune
P-094 Mr. Arjun Indian Institute of Technology, Bifunctional acid-base zirconium phosphonate for catalytic transfer
Manal Ropar hydrogenation of levulinic acid and cascade transformation of furfural to biofuel
molecules
P-095 Ms. Cini M Indian Institute of Technology, Choline chloride based ternary deep Eutectic solvents for CO 2 capture and
Suresh Delhi electrochemical reduction to fuels
P-096 Mr. Suresh Gurukula Kangri, Haridwar Hydrocyclisation of levulinic acid to γ-valerolactone over supported Ni-Co
Chandra catalysts
Andola
P-097 Mr. Anurag CSIR-Indian Institute of Methanol synthesis by C=O activation of carbon dioxide hydrogenation using
Srivastava Petroleum, Dehradun Cu/Zn/Zr metal oxide catalyst
P-098 Mr. Ajin R Indian Institute of Technology, Towards rational WOx/Pt catalyst design for selective glycerol
Madras hydrodeoxygenation to 1,3-Propanediol
P-099 Mr. Paritosh Indian Institute of Science Cation induced enhancement in photophysical properties and catalytic activities
Mahato Education and Research, of mercaptosuccinic Acid (MSA) templated silver nanoclusters
Bhopal
P-100 Dr. Indian Institute of Technology, Investigation of the role of oxygen vacancy on NiO surfaces for the selective
Tamilmani Madras catalytic reduction of NO with NH3
Selvaraj
P-101 Mr. Balaji C Indian Institute of Technology, Mechanistic insights on the role of different interfaces in Cu/ZnOx/ZrOx/Al2O3
D Madras catalyst from first principles multiscale modelling
P-102 Ms. Shivani CSIR-Indian Institute of Liquid phase oxidation of benzene by Cu nanoparticle supported on red mud
Singh Petroleum, Dehradun
P-103 Mr. Mayur CSIR- National Chemical Electrochemical transformation of phenol to hydroquinone using carbonaceous
Baravkar Laboratory, Pune electrodes
P-104 Mr. Bikash Shiv Nadar Institution of Multifunctional single-atom catalyst designing for energy application
Kumar Eminence, Delhi
Mahapatra
71
P-105 Ms. Indian Institute of Science A process for preparing sorbose from fructose on solid MoO3 catalysts
Bhawana Education and Research,
Devi Mohali
P-106 Mr. CSIR-Indian Institute of Ru-promoted enhanced formic acid synthesis from CO2 over Cu-Zn MOF
Jyotishman Petroleum, Dehradun
Kaishyop
P-107 Mr. Hemraj The LNM Institute of A facile approach for efficient ternary polymer organic solar cell by hydrated
Dahiya Information Technology, Jaipur vanadium pentoxide as hole transport interfacial layer
P-108 Mr. Anil Vignan’s Foundation for Egg-shell-derived CaO supported CuOx as an efficient nanocatalyst for C-N
Kumar Science, Technology and coupling reactions
Nallajarla Research (VFSTR),Vadlamudi,
Guntur
P-109 Ms. Vaishali Indian Institute of Technology, 1-D electrospun hierarchical SnOx/WO3 nanocomposite fibers for energy storage
Tanwar Delhi
P-110 Dr. Raj Bharat Petroleum Corporation Novel solvent system for CO2 capture: Commercial perspective
Kumar Das Ltd , Greater Noida
P-111 Ms. CSIR-Indian Institute of Oxidative catalytic valorization of industrial lignin into phenolics: Effect of
Ramandeep Petroleum, Dehradun reaction parameters and metal oxides
Kaur
P-112 Mr. B Sathya Indian Institute of Technology, Mechanistic investigation of the liquid-phase partial oxidation of methane to
Sai Rengam Madras methanol with sulfolane as the solvent
P-113 Dr. Supriyo Bharat Petroleum Corporation Direct hydrogenation of CO2 to formic acid using iridium catalysts
Majumder Limited, Greater Noida
P-114 Ms. Pampa Vellore Institute of Technology, Ionic covalent organic networks as bi-functional electro-catalyst
Jhariat Vellore
P-115 Ms. Divyani Indian Institute of Technology, Sustainable electrocatalytic ammonia synthesis under ambient conditions via
Gupta Ropar cuboidal silver phosphate
P-116 Mr. Alankar Indian Institute of Technology, Fe3O4 decorated paper electrode as binder-free trifunctional electrode for
Kafle Ropar electrochemical ammonia synthesis and Zn-O2 batteries
P-117 Ms. Athira K Indian Institute of Technology, DFT studies of CO2 cycloaddition with epoxide into cyclic carbonates catalysed
K Madras by zeolitic imidazole frameworks: Effect of defect centres and surface sites
P-118 Dr. Ramananda College, Bishnupur Stabilization of new metal−organic frameworks-based bifunctional catalysts for
Subhradeep one-pot tandem and multicomponent catalytic reactions
Mistry
P-119 Ms. Sanchita Jawaharlal Nehru Centre for Covalent grafting of molecular photosensitizer and catalyst on MOF-808: effect
Karmakar Advanced Scientific Research, of pore confinement toward visible light-driven CO2 reduction in water
Bangalore
P-120 Ms. Indian Institute of Technology, Catalytic pyrolysis of plastic waste over zeolite to obtain fuel grade hydrocarbons
Subhashini Ropar
Subhashini
P-121 Ms. Arpna Institute of Nano Science and A light(er) approach for the selective HMF hydrogenation to BHMF without
Jaryal Technology, Mohali external H2: Nothing to sacrifice
P-122 Ms. Meenu CSIR-Indian Institute of Upgradation of sugarcane bagasse lignin: Fractionation to cyclic alcohols
Jindal Petroleum, Dehradun production
P-123 Ms. Suman CSIR-Indian Institute of Synthesis of metal−organic framework inside silica nanopores with significantly
Dalakoti Petroleum, Dehradun enhanced selectivity for propane/propylene separation
P-124 Dr. Soumitra Jawaharlal Nehru Centre for Metal-free catalysis: a redox-active donor–acceptor conjugated microporous
Barman Advanced Scientific Research, polymer for selective visible-light-driven CO2 reduction to CH4
Bangalore
P-125 Mr. Piyush Indian Institute of Technology, Hydrogen production from bio-ethanol steam reforming process using
Pratap Singh Ropar LaNi0.5Co0.5O3 perovskite catalyst : In-situ drift spectroscopy study
P-126 Ms. Charvi Tata Institute of Fundamental Effect of gold surface plasmon resonance (SPR) on acidity of acidic
Singhvi Research, Mumbai aluminosilicate
P-127 Ms. Raina Institute of Nano Science and Tunable characteristics of carbon dot exposing the dual acid sites influence the
Sharma Technology, Mohali glucose conversion to furfurals in a biphasic medium
P-128 Mr. Vallabh Indian Institute of Technology, Hydrodeoxygenation of biomass-derived oxygenate mixtures over bifunctional
Prabhudesai Madras Pt/HY catalyst
P-129 Ms. Sushma Tata Institute of Fundamental Nanomaterials for pre-combustion and post-combustion CO2 capture with high
Kundu Research, Mumbai capture capacity and fast kinetics
72
P-130 Mr. Ayan Indian Institute of Science Influence of vanadate structure on electrochemical surface reconstruction and
Mondal Education and Research, OER performance of CoV2O6 and Co3V2O8
Kolkata
P-131 Mr. Ranjit Pandit Deendayal Energy Novel synthesis (HF-free) of MXene for electrochemical water splitting and
Mohili University, Gandhinagar hydrogen evolution
P-132 Mr. Ajay Indian Institute of Technology, Novel ZnFe2O4/BiFeO3 (n-p) heterojunction photo-electrocatalyst for green
Parashar Delhi hydrogen production
P-133 Dr. Tejender Tata Institute of Fundamental Computational analysis of Ni(0) catalyzed C-O bond cleavage in ethers: An effort
Singh Research, Hyderabad towards lignin valorization
P-134 Ms. Indian Institute of Science Calcined chitosan for light-mediated fixation of CO2 into cyclic carbonates
Khushboo Education and Research,
Paliwal Kolkata
P-135 Ms. Pushkala Indian Institute of Technology, Effect of water on methane conversion to methanol on single atom Rh/ZrO2
Venkatesh Madras catalyst and H2O2 as oxidant
P-136 Mr. Indian Institute of Technology, Photocatalytic CO2 reduction to value-added chemicals using vacancy ordered
Govardhan P Madras halide triple perovskites
P-137 Ms. Anshu Indian Institute of Technology, A comparative assessmment of hybrid materials for CO2 capture: Synthesis,
Bhadauria Madras characterization, and atmospheric and high pressure CO2 uptake evaluation
P-138 Mr. Viplove Indian Institute of Science Co3O4/CoS2 heterostructure: Synergistic interfacial coupling induced superior
Mishra Education and Research, electrochemical performance for hydrazine oxidation reaction
Kolkata
P-139 Mr. D. P. CSIR-Indian Institute of Synergetic performance of Ru incorporated Co/MgO-Al2O3 supported catalysts in
Lakshmee Petroleum, Dehradun tri-reforming of methane: a CCU approach
Kumar
Kasina
P-140 Mr. Ajay Indian Institute of Technology, Development of conventional kinetic models for CO2 to methanol from DFT-
Koushik V Madras based microkinetic models
P-141 Mr. Vivek CSIR-Indian Institute of Influence of Group III-A elements on structure and performance of Cu/ZnO/ZrO2
Kumar Petroleum, Dehradun catalyst for CO2 hydrogenation
Shrivastaw
P-142 Ms. Deep Indian Institute of Technology, Electrochemical CO2 reduction using Sn-based metal-organic framework
Lata Singh Madras
P-143 Mr. Indian Institute of Technology, Oxidative dehydrogenation of ethane to ethylene with carbon dioxide as soft
Ashwajeet Madras oxidant over molybdenum carbide catalysts
Subhash
Gajbhiye
P-144 Mr. Yacham Indian Institute of Technology, Understanding selective sorption of CO2 from mixtures by zeolitic imidazolate
Ashok Madras framework using molecular simulations
P-145 Ms. Shweta Institute of Chemical Polydopamine: An amine oxidase mimicking sustainable catalyst for the synthesis
A. Pawar Technology, Mumbai of nitrogen heterocycles under aqueous conditions
P-146 Ms. Sana Indian Institute of Technology, Cobalt-based zeolitic imidazolate framework derived materials as oxygen
Fathima T K Madras evolution reaction catalysts for seawater electrolysis
P-147 Ms. Soniya Indian Institute of Technology, Self-activated ultra-microporous carbon aerogels from chitosan for CO2
Varghese Madras adsorption under ambient conditions
P-148 Mr. Adarsh Visvesvaraya National Institute Utilizing higher surface area & light harvesting ability of DFNS for boosting H2
Mourya of Technology, Nagpur generation capacity of In2O3 photocatalyst
P-149 Ms. Niharika CSIR-Institute of Minerals and Formation of nanocrystal decorated ultrathin porous C3N3 nanosheets for
Kumar Materials Technology, selective CO2 photocatalytic conversion
Bhubaneswar
P-150 Ms. Awanti Visvesvaraya National Institute Ag2V4O11 nanoflakes mediated photoactivation of peroxymonosulfate ion for
Talmale of Technology, Nagpur enhanced dye degradation and intrinsic bactericidal activity
P-151 Ms. Rashmi NMIMS, Mumbai Effects of calcination temperature on non-porous carbon nitride for photocurrent
Nautiyal generation and CO2 capture
P-152 Ms. Pondicherry University Carbon-based sorbent and prototype device for high-throughput CO2 capture
Malavika
Sunil S
P-153 Mr. Rudra Visvesvaraya National Institute Silver Zirconate: An excellent visible light active photocatalyst for photocatalytic
Pratap Singh of Technology, Nagpur water splitting, persulfate ion activation and antibacterial activity
73
P-154 Ms. Priyanka CSIR-National Chemical Scalable optical fiber photocatalytic reactor for H2 production from water
Walko Laboratary, Pune splitting: Addressing scattering issues
P-155 Mr. Diptendu Indian Institute of Technology, Machine learning assisted exploration of high entropy alloy-based catalysts for
Roy Indore selective CO2 reduction to methanol
nd
P-156 Mr. Anurag Indian Institute of Technology, Furfural vapor-phase hydrodeoxygenation to 2-methylfuran, a 2 generation
Jaswal Ropar biofuel, over TiO2 supported Cu-Ni bimetallic catalysts
P-157 Ms. Sharon SaVellore Institute of Radiolytic Synthesis of Ti3C2Tx supported Pt nanoparticles for oxygen reduction
Alex Technologyribai Phule Pune reaction (ORR)
University, Pune
P-158 Mr. Akshay Indian Institute of Technology, Composites of carbons/indium sulfide for hydrogen peroxide production and
Tikoo Hyderabad water purification
P-159 Ms. Deeksha M. S. Ramaiah University of Effect of ligand attachment at Ag11 for CO oxidation: A computational
R Applied Sciences, Bengaluru investigation
P-160 Ms. SaVellore Institute of Bismuth –Tin based electrocatalyst for electro-reduction of CO2 to formate
Tanushree Technologyribai Phule Pune
Sukul University, Pune
P-161 Mr. Yogesh CSIR-National Physics Highly responsive NIR Si/Sb2Se3 photodetector via surface engineering of Si
Singh Laboratory, New Delhi
P-162 Mr. Noah SRM University-AP,Guntur Electrochemical CO2R using flow cells: Effect of electrolyte concentration and
Jacob applied potential on faradic efficiency
P-163 Mr. SRM University-AP,Guntur The role of catalyst layer deposition techniques for CO2 reduction in a PEM fuel
Manikanta cell
Majji
P-164 Mr. Saikat Indian Institute of Technology, In situ growth of gadolinium/2-methylimidazole metal organic framework on 2D-
Kumar Kuila Kharagpur graphitic carbon nitride for bifunctional electrochemical oxygen evolution and
reduction
P-165 Mr. Pratip Tata Institute of Fundamental Light assisted in-situ generation of plasmonic crystalline Cu catalyst for
Chatterjee Research, Mumbai prominence performance on CO2 hydrogenation
P-166 Ms. Lavanya CSIR-National Chemical Synthesis of stable metal nanoparticles on modified carbon and its superior
K Laboratary, Pune activity in electrochemical HER
P-167 Mr. Himan Indian Institute of Science Deciphering the weak CO2···framework interactions in microporous MOFs
Dev Singh Education and Research, Pune functionalized with strong adsorption sites - A ubiquitous observation
P-168 Dr. Soujanya CSIR-IICT, Hyderabad Design of dual functional materials for hydrogen production with inherent CO2
Yarasi capture
P-169 Ms. Ekta University of Mumbai Water soluble Co and Ni-MOF for the degradation of methylene blue dye and as
Asiwal an antibacterial agents
P-170 Mr. Indian Institute of Science Role of pore size and pore volume in Fe-doped cobalt hydroxide-based
Shashank Education and Research, nanomeshes for oxygen evolution reaction
Sharma Bhopal
P-171 Mr. Rajan Indian Institute of Technology, Promotional role of oxygen vacancy defects and Cu-Ce interfacial sites on the
Singh Delhi activity of Cu/CeO2 catalyst for CO2 hydrogenation to methanol
P-172 Mr. Jean- Central Salts and Marine Hierarchical porous nitrogen-doped carbon supported MgO as an excellent
Louis Kacou Chemical reaserch Institute, composite for CO2 capture at atmospheric pressure and conversion to value-added
Gbe Bhavnagar product
P-173 Mr. Indian Institute of Technology, Production of sebacic acid and 2-octanol via a caustic fusion of methyl ricinoleate
Sagarkumar Delhi
Yogesh
Dhanuskar
P-174 Mr. Rohit NWO-I Institute, AMOLF, Plasmonic nanoreactor for CO2 reduction
Raj Amsterdam
P-175 Mr. Sri Sathya Sai Institute of Understanding pseudocapacitive behaviour of rGO-LaNiO3 all solid state
Undavalli Higher Learning, Puttaparthi, symmetric configuration
Venkata Andhra Pradesh
Gopi
74
75
P-001
Green Biosynthesis of sunlight active zinc oxide coupled cadmium sulfide

nanostructures for efficient degradation of pesticides
Sudha Choudhary1, Manviri Rani1*, Uma Shanker2
1
Department of Chemistry, Malaviya National Institute of Technology Jaipur, Rajasthan 302017-INDIA
2
Department of Chemistry, Dr B R Ambedkar National Institute of Technology Jalandhar, Punjab,
India-144011
Abstract
Many persistent and low-cost pesticides are regularly used for domestic, agricultural, and industrial purpose.
Bioaccumulation and toxicity of pesticides have raised environmental concerns, highlighting the need for
effective removal techniques by using nanomaterials. The ability of hybrid nanocomposites of ZnO@CdS
were utilized for the removal of hazardous and chlorpyrifos (CP) and atrazine (Atz) pesticides. A green
methodology using A. indica (commonly found plant in India) leaves extract employed as a natural
surfactant and deionised water as a solvent for the synthesis of ZnO@CdS nanocomposite. The purity and
crystallinity of the deformed spherical nanoparticle (10–80 nm) were ensured by the sharp peaks acquired
by PXRD. Subsequently, ZnO@CdS nanocomposite was investigated for the elimination of pesticides at
discrete reaction parameters (catalyst: 10–35 mg; pollutant: 2–10 mg/L for CP; 50- 250mg/L for Atz mgL-
1
; pH: 3–11, dark-sunlight). ZnO@CdS nanocomposite showed maximum degradation with 50 mg catalyst
dose, 2 mgL−1 of at neutral pH in the presence of daylight. Results of BET (111 m2g-1), zeta potential (-40.5
mV), and bandgap (1.67 eV) also supported the effective photocatalytic efficiency of ZnO@CdS
nanocomposite. Safer metabolites formed after degradation confirmed by GC-MS analysis. Finally, the
ZnO@CdS nanocomposite may be a viable alternative catalyst for industrial applications due to its high
surface activity, stability, charge separation, and reusability (n = 8).
References
1. M. Rani, U. Shanker, A.K. Chaurasia, J. Environ. Chem. Eng. 5 2017, 2730–2739.
2. J. Parada, O. Rubilar, M. Diez, M. Cea, A.S.A. da Silva, C. Rodríguez-Rodríguez, G. Tortella, J. Hazard
Mater. 361 2019, 228–236.
3. G. Luna-Sanguino, Á. Tolosana-Moranchel, C. Duran-Valle, M. Faraldos, A. Bahamonde, Catal. Today 328
2019, 172–177.
76
P-002
Electrochemical CO2 fixation and conversion to green urea

Sourav Paul, Uttam Kumar Ghorai*
Department of Industrial Chemistry & Applied Chemistry, Swami Vivekananda Research Centre,
Ramakrishna Mission Vidyamandira, Belur Math, Howrah, 711202, India.
E-mail: [email protected], [email protected]
Abstract
150 million tons of urea is produced annually across the globe, and forms the core of the fertilizer sector.
Industrial production of urea involves application of high temperature and elevated pressure; it is not only
a capital intensive process but also environmentally hazardous one. So, looking into the future of carbon
neutral society, we present an innovative solution to produce green urea at STP by electrocatalysis. The
single step electrochemical green urea synthesis process is significantly hindered due to the absence of
efficient and economically viable electrocatalyst with multiple active sites for dual reduction of N2 and CO2
gases to produce urea.
In this work, we showcase a wonder molecule from transition metal pthalocyanine family. The copper
phthalocyanine possess multiple active sites like the metal center (M–N4), pyrolic nitrogen and pyridinic
nitrogen, which can perform the dual reduction of the gases and produce urea yield rate of 144 μg h−1 mg−1cat
and FE of 13% at –0.6 V vs. RHE in 0.1 M KHCO3. Isotope–tracing experiment confirmed origin of urea
formation. The works presents novel synthesis route to design efficient noble metal–free, cheap
electrocatalyst for the urea production and discusses commercial viability using technology readiness level
(TRL).
References
1. J. Mukherjee, S. Paul, A. Adalder, S. Kapse, R. Thapa, S. Mandal, B. Ghorai, S. Sarkar, S., U.K. Ghorai,
Adv. Funct. Mater., 2022, 2200882.
77
P-003
Heterogeneous Electrocatalytic Reduction of CO2 to Fuels using Metallocorrole

Complexes
Shounik Paul, Sabrina Gonglach, Ratnadip De, Ulf-Peter Apfel, Wolfgang Schöfberger*,
Soumyajit Roy*
Department of Chemical Sciences, Indian Institute of Science Education and Research, Kolkata, India.
Abstract
Electrochemical conversion of CO2 to fuels is one of the most challenging methods for conversion and
storage of electrical energy in the form of high-energy density molecules. The challenge lies in the catalyst
design to enable its real-life implementation.1,2 In this work, we report heterogeneous electroreduction of
CO2 to ethanol or methanol of an immobilized cobaltcorrole catalyst system. In moderately acidic aqueous
medium, the cobaltcorrole modified carbon paper electrode exhibits a Faradaic Efficiency of 48 % towards
ethanol production.3 Now keeping the ligand framework fixed, we synthesized Mn(III)Corrole where
electrochemical reduction of Mn(III) leads to an Mn(II) species, which binds CO2 and stabilizes the reduced
intermediates. This catalyst allows to electrochemically reduce CO2 to acetic acid in a moderate acidic
aqueous medium with a selectivity of 63% and a turn over frequency of 8.25 h−1, when immobilized on a
carbon paper electrode.4 In terms of high selectivity towards acetate, we propose the formation and reduction
of an oxalate type intermediate, stabilized at the Mn(III)-corrole center. Comparing both Co(III) and Mn(III)
Corroles and tallying the chemical reduction study with DFT calculations we arrive to the conclusion that
the catalysis is a metal-centred one with the corrole ligand stabilizing multiple redox intermediates.
References
1. Enthaler, S., Langermann, Jvon & Schmidt, T., Energy Environ.Sci. 2010, 3, 1207–1217.
2. Kondratenko, E. V., Mul, G., Baltrusaitis, J., Larrazábal, G. O. & Pérez-Ramírez, J., Energy Environ. Sci. 2013,
6, 3112–3135.
3. Paul, S., Gonglach, S., Haas, M., Pillwein, F., Sreejith, S. S., Barman, S., De, R., Müllegger, S., Gerschel, P.,
Apfel, U., Coskun, H., Aljabour, A., Stadler, P., Schöfberger, W., and Roy, S., Nat. Commun. 2019, 10, 3864.
(SP and SG contributed equally)
4. Paul, S., De, R., Gonglach, S., Haas, M., Sreejith, S.S., Gerschel, P., Apfel, U.P., Vuong, T.H., Rabeah, J.,
Roy,
5. S. and Schöfberger, W., Angew. Chemie. Int. Ed., 2020, 26, 10614-10621. (SP, RD and SG contributed equally)
78
P-004
Atmospheric pressure conversion of carbon dioxide to cyclic carbonates using a

metal-free Lewis acid-base bifunctional heterogeneous catalyst
Hushan Chand, Priyanka Choudhary, Ashish Kumar, Ajay Kumar, and Venkata Krishnan*
School of Chemical Sciences and Advanced Materials Research Center,
Indian Institute of Technology Mandi, Kamand, Mandi 175075, Himachal Pradesh, India.
Email: hushan [email protected], [email protected]
Abstract
Conversion of carbon dioxide (CO2) to value-added products is imperative to combat global warming. In
this regard, herein we report a metal-free heterogeneous catalyst, boron-doped graphitic carbon nitride for
effective conversion of CO2 to cyclic carbonates at atmospheric pressure under solvent-free conditions.1
The developed catalyst possesses acid-base dual functionality as active sites, which activate both epoxides
as well as CO2 simultaneously to carry out the cycloaddition reaction.2 The catalyst showed a maximum
yield up to 99% with a turnover number of 173. Detailed optimization studies have been performed to
find out the best doping content of boron and best conditions by varying the reaction time, temperature
and catalysts amount. Furthermore, the ease of catalyst recovery and excellent recyclability demonstrate
the sustainability and versatility of the catalyst for selective and efficient conversion of CO2 to cyclic
carbonates at mild conditions. A mechanism based on acid-base duality is proposed, the co-activated CO2
and epoxide react with each other to yield the cyclic carbonates. 3, 4 This work paves way for the rational
design and development of suitable catalysts for CO2 conversion in a sustainable and environment-
friendly way.
References
1. Chand, H.; Choudhary, P.; Kumar, A.; Kumar, A.; Krishnan, V., Atmospheric pressure conversion of carbon
dioxide to cyclic carbonates using a metal-free Lewis acid-base bifunctional heterogeneous catalyst. Journal
of CO2 Utilization 2021, 51, 101646.
2. Samanta, S.; Srivastava, R., A novel method to introduce acidic and basic bi-functional sites in graphitic
carbon nitride for sustainable catalysis: cycloaddition, esterification, and transesterification reactions.
Sustainable Energy & Fuels 2017, 1 (6), 1390-1404.
3. Zhu, J.; Diao, T.; Wang, W.; Xu, X.; Sun, X.; Carabineiro, S. A.; Zhao, Z., Boron doped graphitic carbon
nitride with acid-base duality for cycloaddition of carbon dioxide to epoxide under solvent-free condition.
Applied Catalysis B: Environmental 2017, 219, 92-100.
4. Biswas, T.; Mahalingam, V., Efficient CO2 fixation under ambient pressure using poly (ionic liquid)-based
heterogeneous catalysts. Sustainable Energy & Fuels 2019, 3 (4), 935-941.
79
P-005
Advanced oxidation processes for waste water treatment: photcatalytic degradation

of dyes in sunlight and in dark conditions
Koyar Sanlo Rane
Department of Chemistry, Rani Channamma University and Gogte Institute of Technology, Belgaum,
Karnataka, India
Abstract
In the traditional water treatment processes the disinfection step involves cost effective chlorination but it
suffers from the incorporation of chlorohydrocatbon (CHC) contaminations. An environmentally friendly
Photo-catalysis1, an Advanced Oxidation Process (AOP), is being tried in our laboratoris last several years
to abate microorganisms, enhance dissolved Oxygen (DO) and degrade dyes and pharmaceutical active
materials in the waste waters. A model dye, methylene blue, shows the degradation as such in the sunlight
and enhanced one in the presence of MoO3, Fe hydroxides, Fe2O3 and iron ore rejects, but also in the dark
conditions. UV- Visible spectroscopy, HPLC, TOC, LCMS studies have been utilized to ascertain the
degradation products of the degradation in the sunlight and in the dark conditions. Establishing of the nature
of the products through NMR studies is, however, is laborious and the work is in progress. The Biochemical
Oxygen Demand (BOD) and Bactericidal activities studies on TiO2, ZnO too have been done. The catalysts
show visible light sensitive catalytic activities.
References
1. Qasem, N.A.A., Mohammed, R.H. & Lawal, D.U. Removal of heavy metal ions from wastewater:
a comprehensive and critical review. npj Clean Water 4, 36 (2021). https://doi.org/10.1038/s41545-021-
00127-0
2. Mrunal V. Kangralkar, J. Manjanna, Naeemakhtar Momin, K.S. Rane, G.P. Nayaka, Vishnu A.
Kangralkar,
3. Environment. Nanotechnol, Monitor. Management, 16(2021)100508
4. P. Namkhang, Woo-Jin An, Wei-Ning Wang, Koyar S Rane, Paisan Kachuichaya, Pratim Biswas, J. Nano
Science and NanoTechnol, 13(2013)2376-81
5. R.Karamali, V.Borker, Koyar Rane and C. G. Naik,J. Solid Waste Technology and Management 38(2012)232-
39
6. R. Karamali, A. Baratakke, V. Borker, Koyar S Rane, Biointerface Research in Applied Chem., 1(2011)57-63
80
P-006
Graphitic carbon nitride based high density copper single atom catalyst for
multifunctional applications
Suja P,1,2 Balagopal N Nair3, T. P. D. Rajan,1,2 Jubi John,1,2 U. S. Hareesh1,2*
1
CSIR-National Institute for Interdisciplinary Science and Technology (NIIST), Industrial Estate P.O.
Thiruvananthapuram, Kerala 695019, India, 2Academy of Scientific and Innovative Research (AcSIR),
Ghaziabad, 201002, India, 3School of Molecular and Life Sciences (MLS), Curtin University, Perth, Western
Australia 6845, Australia
Abstract
Graphitic carbon nitride (g-C3N4) based heterogeneous single atom catalysts (SACs) exhibit high potential
for photo and electro catalytic CO2 reduction, organic reaction catalysis etc.1,2 Herein, g-C3N4/Cu single
atom catalyst with high metal loading was developed by the thermal decomposition and polymerisation of
constituent precursors under controlled atmosphere through a facile one pot synthetic approach. g-C3N4/Cu
SAC demonstrated photocatalytic conversion of CO2 to methanol in millimolar quantities. The catalyst also
facilitated the regiospecific synthesis of 1,4-disubstituted 1,2,3-triazole via the cycloaddition reaction of
terminal alkyne with azide under green and mild reaction conditions. Furthermore, the developed catalyst
exhibited persulfate mediated, photoassisted degradation of tetracycline antibiotic. The results demonstrate
the suitability of g-C3N4/Cu SAC for multifunctional catalytic applications.
References
1. Hai, X., Xi, S., Mitchell, S., Harrath, K., Xu, H., Akl, D. F., ... & Lu, J. Nature Nanotechnology, 2022, 17(2),
174-181.
2. Ji, S., Qu, Y., Wang, T., Chen, Y., Wang, G., Li, X., ... & Li, Y. (). Angewandte Chemie
International Edition, 2020, 59(26), 10651-10657.
81
P-007
TEMPO- catalysed green electrochemical synthesis of Dimeric 2-Oxindole

Sulekha Sharma, and Amit Paul*
Department of Chemistry, Indian Institute of Science Education and Research Bhopal (IISERB), India
Abstract
Electro-organic synthesis is a green, sustainable, and economically efficient approach to chemical
transformations as it replaces the use of harmful and expensive chemical oxidants/reductants by
harnessing the electrode potential.1 However, there are certain challenges that are still associated with
this methodology, such as the use of a large amount of electrolyte, the requirement of high oxidation
potential, and tedious steps to carry out the optimization of the reaction. Therefore, the synthesis
methodology still doesn’t follow all the principles of green chemistry.2,3 Herein, TEMPO-catalyzed
electro-oxidative dimerization of 2-oxindole has been carried out at 0.8 V vs Ag/Ag+, which is a
significantly lower potential than that of the oxidation potential of the substrate, i.e., the reaction becomes
appreciably more energy efficient. Besides, more than 90% of the electrolyte used in the reaction was
recovered at the end of the reaction and therefore making the reaction significantly greener. Furthermore,
the electrochemical rate constant measurement studies were performed to bypass the exhausting steps
required for the optimization of the reaction. Hence, the protocol developed herein is much superior
compared to the conventional as well as general electro- organic methods.
. References
1. Jiang, Y.; Xu, K.; Zeng, C. Chem. Rev. 2018, 118, 4485-4540.
2. Sharma, S.; Roy, A.; Shaw, K.; Bisai, A.; Paul, A. J. Org. Chem. 2020, 85, 14926-14936.
3. Shaw, K.; ‡ Sharma, S.; ‡ Khatua, A.; Paul, A.; Bisai, A. Org. Biomol. Chem. 2021, 19, 9390–9395.
(‡Both authors contributed equally to this work.)
82
P-008
A mechanistic approach to design stable ni-ceria catalyst for methane conversion to

metgas
Deepak Khurana a,b, M. Ali Haider c, Rajaram Bal a,b,, Tuhin Suvra Khan a,b,*
a Nanocatalyst area, Light Stock Processing Division, CSIR-Indian Institute of Petroleum, Dehradun
248005, Uttarakhand, India b Academy of Scientific and Innovative Research, Ghaziabad, Uttar
Pradesh, 201002, India c Renewable Energy and Chemicals Laboratory, Department of Chemical
Engineering, Indian Institute of Technology Delhi, Hauz Khas, Delhi, 110016, India
Presenting Author: Deepak Khurana ([email protected])
Corresponding Author E-mail: [email protected]
Abstract
Noble metal doped Ni-CeO2 bimetallic catalysts [1] were synthesized for CPOM reaction using a
controlled deposition approach. The catalytic activity trends of these catalysts were investigated and
compared for CPOM reaction under atmospheric pressure conditions. The three Ni-Pt, Ni-Pd, and Ni-Ru
catalysts show high CPOM activity (> 90 % CH4 conversion) . To establish the catalyst’s stability against
coke deposition and agglomeration, the catalysts were analyzed for 24 hours based on catalytic activity
during TOS. 0.25% Pt doped Ni/CeO2 catalyst showed superior activity and exhibited exceptional long-
term stability up to 300 hours. DFT calculations were performed over the Ni (111), Ni3Pt (111), Ni3Pd
(111), and Ni3Ru (111) catalyst surfaces show a low methane C-H activation [2] barrier for all the four
catalysts (< 170 kJ/mol), whereas the DFT calculation of C-C coupling reaction show Ni
(111) surface to be highly prone to coke formation (Ea = 14.2 kJ/mol), whereas Ni3Pt (111) show the
highest resistivity towards coke formation with C-C coupling activation barrier (Ea= 85.4 kJ/mol). The
combined experimental and DFT study on the noble metal doped Ni/CeO2 catalyst showed Ni-Pt/CeO2
as a promising CPOM catalyst for the production of Metgas with reduced coke formation.
References
1. Jalid, Fatima, M. Ali Haider, Md Imteyaz Alam, and Tuhin S. Khan. "Mechanistic insights into the dominant
reaction route and catalyst deactivation in biogas reforming using ab initio microkinetic modeling." Catalysis
Science & Technology 11, no. 6 (2021): 2130-2143.
2. Jalid, Fatima, Tuhin Suvra Khan, and M. Ali Haider. "CO2 reduction and ethane dehydrogenation on transition
metal catalysts: mechanistic insights, reactivity trends and rational design of bimetallic alloys." Catalysis
Science & Technology 11, no. 1 (2021): 97-115.
83
P-009
Sustainable synthesis of graphene-gold nanocomposite exhibiting catalytic reduction

and antioxidant applications
Syed Akhil, Sriram Mosali, Basavaiah Chandu*
Department of Nanotechnology, Acharya Nagarjuna University, Guntur, AP, India-522510
Abstract
The recent popularity in green chemistry synthesis of graphene materials is attributed to the use of renewable
reagents and eco-friendly solvents with scalable production capability. In the present report, the eco-friendly
synthesis of graphene-gold nanocomposite using betel leaves extract as a green reducing and stabilizing agent was
presented. The betel leaves extract was added to the precurser aqueous solution of graphene oxide and HAuCl 4
which was refluxed overnight. The UV-Visible spectra exhibited characteristic graphene peak at 270 and gold peak
at 520 nm, Raman spectra displayed both D and G peaks, FT-IR clearly depicted the removal oxygen functional
groups on GO, XRD spectra exhibited peaks at a 2 value of at 25.2°, 37.7°, 43.8°, 64.1° and 77.1°, the average
size of gold nanoparticles was 21 nm, HRSEM and TEM spectra displayed transparent and twinkled graphene
sheets decorated with Au NPs of various shapes such as spherical, triangles, pentagons, circular, trapezium. Thus
obtained BRG-Au nanocomposite exhibited excellent antioxidant activity (120 %) against ascorbic acid and 90 %
against DPPH. The nanocomposite was very efficient in the reduction of 4-nitrophenol to 4-aminophenol within
30 min under visible light photocatalytic conditions. The nanocomposite can be applied in the photocatalysis and
biomedical applications.
References
1. B. Chandu, M.V.S. Sriram, M. Bhanu, B.H. Babu, Carb. Lett., 2017, 21, 74.
2. K.C. Mohan, K. Swarnalatha, A. Syed, B. Chandu, K.B. Krishna, K.P. Rao, B.H. Babu, Mater. Lett. 2020,
263, 127224.
3. B. Chandu, K.C. Mohan, L.P. Yangalasetty, S.J. Gali, B.H. Babu, Mater. Lett. 202, 308, 131116.
4. B. Chandu, N. Sharmial, B.H. Babu, Chem. Select, 2018, 34, 11172.
5. S. Akhil, A.M.M.J. Saeed, S.S. Majety, M. Bhanu, G. Majji, D. Bharatity, B.H. Babu, B. Chandu, Carb. Lett,
2022, 36, 1215.
84
P-010
Mechanistic insights for the non-covalent interactions of organic solvents in acid

catalysed dehydration of biomass-derived lactones
Mohd Ussama, Gourav Shrivastav, and M. Ali Haider*
Department of Chemical Engineering, Indian Institute of Technology (IIT) Delhi, India. E-mail:
[email protected], [email protected], [email protected]
Abstract
Solvent effects can markedly influence the thermodynamics of reaction moieties using the non-
covalent interactions provided by the solvent.1 Non-covalent interactions of organic solvents and their
mixtures in water are observed to affect the rates of acid catalysed reactions of biomass-derived
platform chemicals. Differential stabilizations of the protonated transition state with respect to solvated
protons are attributed to significantly high reaction rates in polar aprotic solvents as compared to
water.2 Many theoretical studies have also been performed for the solvent effects on the dehydration
reaction, but the identification of molecular level mechanisms for the solvent effect on each step of
dehydration remains a challenge. In this study, effect of organic solvents and their mixtures with water
on the dehydration reaction of Mevalonolactone (MVL) are elucidated using ab initio molecular
dynamics (AIMD)-metadynamics simulations. The activation free energy barrier for the dehydration of
MVL is observed to be higher by around 45 kJ/mol in water as compared to THF due to possible
changes in the rate determining step; C-H bond activation in water as compared to C-O bond activation
in THF. In mixtures of water and THF, the presence of organic phase is observed to facilitate a water
enriched confined space around the reactant, which helps in reducing the protonation barrier of the
reactant, as compared to pure water.
References
1. Chia, M; Haider, M.A.; Pollock, G; Kraus, G.A.; Nuerock, M.; & Dumesic, J.A. J. Am. Chem. Soc. 2013,
135, 15, 5699–5708
2. Shrivastav, G.; Khan, T.S.; Agarwal, M.; & Haider, M.A. React. Chem. Eng., 2020, 5,651-662
85
P-011
DFNS/TiO2-Cu catalyst with rich oxygen vacancies for highly efficient CO2
reduction to CO
Rajesh Belgamwar and Vivek Polshettiwar*
Abstract
Considerable progress has been made in high-temperature CO2 reduction to CO.1-2 Herein, we report
Cu-based catalyst for CO2 to CO conversion was demonstrated by creating the strong metal support
interaction (SMSI) between Cu active sites and DFNS/TiO2 support.3-5 The DFNS/TiO2-Cu10 catalyst
showed good catalytic performance with CO productivity of 5350 mmol gcat−1 h−1 (i.e. 53506 mmol
−1 −1
g Cu h ), surpassing almost all copper-based catalysts with 99.8% selectivity towards CO. In-situ
DRIFTS study indicated that there was a SMSI between copper sites and Ti3+ sites, which ensured good
stability and dispersion of the active copper sites. In-situ Raman study indicated that surface oxygen
vacancies were produced by hydrogen, then consumed by CO2 and then again regenerated by hydrogen.
These continuous generation-regeneration processes during the progress of the reaction allowed long-
term high catalytic activity and stability. In situ transmission FTIR indicated that CO2 did not directly
dissociate to form CO, while the in-situ Raman study demonstrated that the Ti3+ species gradually
decreased after introducing CO2 gas into the reactor chamber and gradually increased when exposed to
hydrogen. Moderate initial agglomeration and high dispersion of nanoparticles due to SMSI made the
catalysts stable, and even after 200 h of reaction, the catalyst remained active.
References
1. S.J.Tauster; S.C. Fung,; R.T.K Baker; J.A. Horsley, Science 1981 211, 1121–1125.
2. H. Frey; A. Beck; X. Huang; J. A. Van Bokhoven; M. G. Science 2022, 376, 982-987
3. V. Polshettiwar, ACS Accounts of Chemical Research 2022, 55, 1395–1410
4. N. Bayal; R. Singh; V. Polshettiwar, ChemSusChem 2017, 10, 2182-2191.
A. K. Mishra; R. Belgamwar; R. Jana; A. Datta; V. Polshettiwar, Proc. Natl. Acad. Sci. U.S.A 2020, 117,
6383- 6390.
86
P-012
Developing porous solids for carbon capture and hydrogen storage applications
Sapna Seth
Department of Applied Sciences, Tezpur University, Assam, India.
Abstract
Microporous solids have emerged as potential materials for gas separation and gas storage applications.
In this regard, metal-organic frameworks (MOFs) are promising in terms of their high and selective gas
uptake property, fast kinetics of physisorption and reversible sorption behavior. Herein, we present
some microporous MOFs that exhibit good carbon capture property and high hydrogen storage
capacity.
As for the carbon dioxide uptake in is concerned, porous materials containing nitrogen rich
functionalities can improve the gas uptake. Therefore the constituent organic linker was judiciously
designed by introducing multiple triazole functionalities. The resulting MOF contains one dimensional
nitrogen-rich channels decorated with triazole groups. As expected, the MOF exhibits good selective
carbon dioxide uptake (gravimetric) over nitrogen under ambient conditions.
In regard to hydrogen storage, materials with high volumetric storage capacity are desirable for their use
in fuel cell vehicles. However, obtaining high usable volumetric as well as gravimetric hydrogen
storage capacities together is highly challenging because there is a trade-off between these two
parameters, and only a few materials demonstrate good balance between the volumetric and gravimetric
capacities. Four MOFs, namely, IRMOF-20, SNU-70, UMCM-9, and PCN-610/NU-100 were
experimentally demonstrated to surpass the capacities of the prototype material MOF-5, the record-
holder for balanced hydrogen capacity.
References
1. Ahmed, S. Seth, J. Purewal, A. G. Wong-Foy, M. Veenstra, A. J. Matzger, D. J. Siegel, Nat.
Commun., 2019, 10, 1568– 1576.
2. J. Purewal, M.Veenstra, D. Tamburello, A. Ahmed, A. J. Matzger, A. G. Wong-Foy, S. Seth, Y. Liu,
D. J. Siegel, Int. J. Hydrog. Energy, 2019, 44, 15135–15145.
3. S. Seth, S. Govardhan, S. Jhulki, J. N. Moorthy, Cryst. Growth Des., 2016, 16, 2024–2032.
4. S. Seth, S. Govardhan, J. N. Moorthy, Inorg. Chem., 2015, 54, 6829–6835.
87
P-013
Selective depolymerization of EPS into styrene using an alkali metal- supported

Fe/γ-Al2O3 catalyst
Bhanu Joshi, Bipul Sarkar*
Upstream and Wax Rheology Division (UWRD), Department of Chemical Sciences, CSIR-Indian
Institute of Petroleum (IIP), Dehradun, India.
Abstract
Despite the endless benefits of plastics, the ever-growing unmanaged plastic waste is having a significant
impact on global ecosystems.1 They usually end up in landfills and pollute waterways and aquifers.
Polystyrene (PS), a synthetic polymer based on styrene monomer, and expanded polystyrene (EPS) are
commonly used as packaging materials. EPS used in packaging is classified as waste as it is usually
destined for specific purposes leaving little room for alternative uses. As a result, the PS content in MSW
is expected to increase rapidly.2 The depolymerization is carried out with the parallel reactor. The plastics
(of various sizes) were vaporized in the 1st reactor, and the vapor was then sent to the 2nd reactor, which
was filled with catalyst. The partial combination of acid and base was used for the improved liquid
distillates and styrene selectivity. we have synthesized an prolonged active, stable, and regeneratable
alkali-metal-supported Fe/γ-Al2O3 catalyst for the selective depolymerization of polystyrene.It was found
that the solid base catalyst (KFe/γ-Al2O3) was more effective with >80% styrene selectivity with >80%
liquid yield. The facile physical adsorption of polystyrene molecules on the iron oxide surface and the
control dissociation plays a vital role in suppressing the secondary products.3
References
1. Lebreton, L.; Andrady, A., Future scenarios of global plastic waste generation and disposal. Palgrave
Communications 2019, 5 (1).
2. Felice, G.; Federico, A.; Erika, G.; Antonio, M., Expanded polystyrene (EPS) in road construction: Twenty
years of Italian experiences. Transportation Research Procedia 2020, 45, 410-417.
3. Hossain, M. M.; Atanda, L.; Al-Yassir, N.; Al-Khattaf, S., Kinetics modeling of ethylbenzene dehydrogenation
to styrene over a mesoporous alumina supported iron catalyst. Chemical Engineering Journal 2012, 207-208,
308-321.
88
P-014
Optoelectronic structure basis for doping-induced enhancement of photocatalytic

H2 evolution rate in BaTiO3
Sujana Chandrappa1, Stephen N. Myakala2, Alexey Cherevan2, Dharmapura H. K. Murthy1,3*
1. Department of Chemistry, Manipal Institute of Technology, Manipal Academy of Higher Education
(MAHE) Manipal 576104, India.
2. Institute of Material Chemistry, Technische Universität Wien, 1060, Vienna, Austria
3. Centre for Renewable Energy, Manipal Institute of Technology, Manipal Academy of Higher
Education (MAHE) Manipal 576104, India. Email: [email protected]
Abstract
Rationally developing photocatalyst to enhance H2 generation efficiency via water splitting is critical to
reduce the cost of green2 H 1,2. In this direction, barium titanate (BaTiO
3 ) is a promising photocatalyst
owing to the thermodynamically favourable energy band levels, tuneable optoelectronic properties,
susceptible to doping at both Ba/Ti sites, and prospect of built-in electric field promoting charge
separation3. However, due to the wide band gap of non-doped BaTiO3, it only harnesses ultraviolet (λ≥390
nm) region that constitutes only 4-5% of the solar spectrum4. Hence, extending the BaTiO3 optical
response towards visible/NIR region is essential. To this end, we realized optical absorption up to 700
nm for the first time in BaTiO3 via doping rationally chosen d-block metal cation (Mn+). We noticed
significant enhancement in the photocatalytic H2 evolution efficiency under visible light for the doped
BaTiO3 compared to its non-doped counterpart. Through comprehensive spectroscopic analysis, we
revealed doping induced changes in the optoelectronic/surface properties, energetic position of dopant
states within the forbidden region, Fermi level shift, and nature of defects responsible for pronounced H2
evolution activity. Such insights pave way towards designing efficient photocatalysts capable of
absorbing wider part of the incoming sunlight to realize sunlight-driven scalable H2.
References
1. Takata, T., Jiang, J., Sakata, Y. et al. Nature, 2020, 581, 411–414
2. Nishiyama, H., Yamada, T., Nakabayashi, M. et al. Nature, 2021, 598, 304–307
3. Y. Cui, J. Briscoe, Y. Wang, N. V. Tarakina, and S. Dunn, ACS Appl. Mater. Interfaces, 2017, 9, 24518–24526
4. K. Maeda, ACS Appl. Mater. Interfaces, 2014, 6, 2167–2173
89
P-015
Visible light-induced N-formylation of amines with CO2 catalyzed by zinc(II)

phthalocyanine grafted on g-C3N4
Anil Malik, Suman Lata Jain*
Chemical and Material Science Division (CMSD), Department of Chemical Sciences, CSIR-Indian
Institute of Petroleum (IIP), Dehradun, India.
Abstract
The utilization of CO2 as a sustainable C1 feedstock to produce fine chemicals is an important and viable
approach for CO2 mitigation1. However, the higher stability and chemical inertness of CO2 makes its
activation tedious and require extensive energy inputs2. In the present study, we described a visible light-
assisted, highly efficient, and cost-effective approach for the N- formylation of various amines with CO2
in the presence of phenyl silane at room temperature and atmospheric pressure using a hybrid
photocatalyst consisting of zinc phthalocyanine3 (ZP) embedded in graphitic carbon nitride (g-C3N4)4.
Among the various compositions screened, hybrid containing 5 wt% ZP on g-C3N4 (ZPCN-5) exhibited
maximum efficiency for this transformation. The computational studies and DFT calculations defined the
work function of ZP, CN, and ZPCN heterostructure to understand the origin of electron transfer. These
calculations suggested that the work function of ZP was lower than that of CN, which led to an electron
flow from ZP to CN and thus confirmed the type II configuration of ZPCN. The developed photocatalyst
was highly stable and remained active for at least five runs without any significant loss in efficiency, and
no leaching was observed during this course.
References
1. Green, Economics and the ‘greenhouse effect’, Clim. Change, 1992, 22, 265–291.
2. W. Kleij, M. North and A. Urakawa, Cover Picture: CO2 Catalysis (ChemSusChem 6/2017), ChemSusChem,
2017, 10, 1034–1034.
3. Shaabani, Synthesis of metallophthalocyanines under solvent-free conditions using microwave irradiation,
4. J. Chem. Res., Synop., 1998, 672–673.
5. X. Wang, K. Maeda, A. Thomas, K. Takanabe, G. Xin, J. M. Carlsson, K. Domen and M. Antonietti, A metal-
free polymeric photocatalyst for hydrogen production from water under visible light, Nat. Mater., 2009, 8, 76–
80.
90
P-016
Insights into phase behavior of confined CO2 in ultramicroporous carbon

Jitendra Bahadur*
Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai, India.
Abstract
In this work, we report phase behavior of confined CO2 in ultramicroporous carbon (UMC) probed by
in-situ neutron scattering measurements. The presence of micropores and disordered structure of UMC
shows peculiar properties as far as the fluid confinement is concerned1-5. Solving microscopic structure
of amorphous UMC is a challenge and we solved the structure using hybrid reverse Monte-Carlo
simulation depicting stacked crumpled graphene sheets morphology which gives rise to ultramicropores
of ~6 Å size capable of storing large amounts of CO2 and H2. Neutron scattering results reveal strong
densification of CO2 in the micropores and liquid-like CO2 density is observed even below 0.5 bar.
Further, unusual non-monotonic deformation of micropores is observed as a function of CO2 pressure.
This non-monotonic behavior in the pore deformation is attributed to the interplay of CO2 pore-wall
interaction and CO2-CO2 interaction. The strong CO2 adsorption induced stress at low pressure leads to
increase in the pore size whereas at high pressure enhanced interaction among CO2 molecules leads to
reduced stress causing decrease in the pore size. It has been shown that Argon (Ar) does not show such
densification and pore deformation in UMC clearly indicating that interaction between adsorbate and
adsorbent also play significant role in addition to the pore morphology in the large CO2 capture.
References
1. J. Bahadur, Y. B Melnichenko, L. He, C. I. Contescu, N. C. Gallego, J. R. Carmichael, Carbon, 2015, 95, 535-
544
2. J. Bahadur, C. I. Contescu, A. J. Ramirez-Cuesta, E. Mamontov, N. C. Gallego, Y. Cheng, L. L. Daemen, Y.
B. Melnichenko, Carbon, 2017, 111, 681-688
3. J. Bahadur, C. I. Contescu, D. K. Rai, N. C. Gallego, Y. B. Melnichenko, Carbon, 2017, 111, 681-688.
4. E. Mamontov, Y. Yue, J. Bahadur, J. Guo, C. I. Contescu, N. C. Gallego, Y. B. Melnichenko, Carbon, 2017,
111, 705-712
5. L. He, Y. B. Melnichenko, N. C. Gallego, C. I. Contescu, J. Guo, J. Bahadur, Carbon, 2014,80,82-90
91
P-017
Adsorptive removal of CO2 using microspheres obtained by jamming of silica

colloids and PEI
Swati Mehta1,2, Jitendra Bahadur1,2*, Debasis Sen1,2, Saideep Singh3, Vivek Polshettiwar3
1
Solid State Physics Division, Bhabha Atomic Research Centre (BARC), Mumbai, India.
2
Homi Bhabha National Institute (HBNI), Anushaktinagar, Mumbai, India.
3
E-mail: [email protected] , [email protected]
Abstract
Excessive amount of anthropogenic CO2 emission from the combustion of fossil fuels has triggered global
warming and climate change and remain one great challenge mankind is facing1. Polyethyleneimine (PEI)
based solid nano-adsorbents offered a viable CO2 capture alternative to overcome the energy and
regeneration requirements along with the corrosive nature and evaporation & degradation associated with
traditional amine based CO2 absorption2,3.
In this work, we reported the study of hierarchically organized silica-PEI microspheres utilizing co-
operative evaporation induced self-assembly4 to overcome the issues faced by conventional PEI based
4,5
solid adsorbents
. The atypical jamming behavior of the silica colloids immobilizes PEI in the silica-PEI
microspheres without reducing the porosity and specific surface area contrasting to the conventional
impregnation approach. The resultant composite silica-PEI microspheres demonstrate good thermal
stability and CO2 sorption characteristics. For 33 wt.% PEI loading, the CO2 uptake reported by the
microspheres is 65 mg/g at 25 ˚C & elevates to 90 mg/g at 75 °C. The fast-adsorption kinetics along with
good regeneration capability throughout 20 cycles of adsorption-desorption make it useful for practical
applications. The obtained microspheres possess ease of synthesis, good thermal stability under many
cycles of operation which make them potential class of materials having positive impact on CO2 capture.
References
1. Song, Catalysis Today, 2006, 115, 2-32.
2. X. Xu, C. Song, J. M. Andresen, B.G. Miller, A. W. Scaroni, Energy & Fuels, 2002, 16, 1463-1469.
3. X. Xu, C. Song, J. M. Andresen, B. G. Miller, A. W. Scaroni, Microporous & Mesoporous Materials,
2003, 62, 29-45.
4. S. Mehta, J. Bahadur, D. Sen, S.Singh, V. Polshettiwar. Soft Matter, 2022, 18(27), 5114-5125.
5. J. Bahadur, S. Mehta, S. Singh, A. Das, A. Maity, T. Youngs, D.Sen, V. Polshettiwar, Material
Advances, 2022.
92
P-018
Hot-electrons of black-gold nickel as green nanocatalysts

Rishi Verma,1 Rajesh Belgamwar,1 Ritaj Tyagi,1 Robert Bericat Vadell,2 Vamsee Voora,1 Jacinto Sá2
and Vivek Polshettiwar1*
1
Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), Mumbai, India
2
Department of Chemistry-Ångström Laboratory, Uppsala University, Uppsala, Sweden
Email id: [email protected], [email protected]
Abstract
Conventional plasmonic nanocatalysts have intense absorptions but are narrow1-3. In this work, we have
designed and synthesized dendritic plasmonic colloidosomes of Au (black gold)4-5, based “antenna
reactor” of nickel that absorbs across the entire optical range. The plasmon-induced hot electrons in Ni
and intense electric field around it within the hotspots of black gold interact with reactants adsorbed on
the Ni sites. This enabled plasmon-induced bond activation of several challenging catalytic reactions
(H2 dissociation, C-Cl bond activation, as well as CO2 hydrogenation) with visible light at room
temperature. The plasmon-assisted reaction mechanism and direct involvement of hot electrons were
studied by competitive C-Cl bond activation with one-electron ferricyanide reduction, in-situ diffuse
reflectance infrared Fourier transform spectroscopy (DRIFTS) study, finite-difference time-domain
simulations, and quantum chemical studies. Ultrafast transient absorption spectroscopy studies
indicated in-direct hot electron transfer from the antenna (Au) to the reactor (Ni) in less than 100 fs,
corroborated by a reduction on Au-plasmon electron-phonon lifetime and a bleach signal associated
with Ni d-band filling. The black Gold-Ni “antenna reactor” was able to catalyze strategically
important CO2 hydrogenation using solar energy, with highest reported photocatalytic CO production
rate (2464 ± 40 mmolgNi-1 h-1) and 95 % selectivity. Notably, reaction was carried out in a flow reactor
and catalyst was stable for at least 100 h with no significant changes in CO production rate and
selectivity. Liner dependence of CO production rate on light intensity indicated the non-thermal hot
electron mediated CO2 reduction. Operando diffuse reflectance infrared Fourier transform spectroscopy
(DRIFTS) showed that CO2 hydrogenation took place by direct dissociation path via linearly bonded
Ni-CO intermediates.
References
1. Cybularczyk-Cecotka, M., Szczepanik, J., Giedyk, M., Photocatalytic strategies for the activation of
organic chlorides. Nat. Catal. 3, (2020) 872-886.
2. Li, Y., Ye, Z.; Lin, Y. -M, Liu, Y., Zhang, Y., Gong, L. Organophotocatalytic selective
deuterodehalogenation of aryl or alkyl chlorides. Nat. Commun. 12, (2021) 2894.
3. Verma, R., Belgamwar, R., Polshettiwar, V. Plasmonic photocatalysis for CO2 conversion to chemicals
and fuels. ACS Mater. Lett. 3, (2021) 574–598.
4. Dhiman, M., Maity, A., Das, A., Belgamwar, R., Chalke, B., Lee, Y., Sim, k., Nam, J. –M., Polshettiwar,
V. Plasmonic colloidosomes of black gold for solar energy harvesting and hotspots directed catalysis for
CO2 to fuel conversion. Chem. Sci. 10, (2019) 6594-6603.
5. Maity, A., Belgamwar, R., Polshettiwar, V. Facile synthesis protocol to tune size, textural properties and
fiber density of dendritic fibrous nanosilica (DFNS): Applications in catalysis and CO2 capture, Nat.
Protoc. 14, (2019) 2177-2204.
93
P-019
Edge-functionalization driven improved charge transfer in covalently

interconnected g-C3N4 layers for enhanced photocatalytic hydrogen evolution
Raj Sekhar Roy, Ujjal K Gautam*
Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER)- Mohali,
Sector 81, Mohali, SAS Nagar, Punjab-140306.
Abstract
Visible light-driven hydrogen (H2) generation by water-splitting has triggered an extensive demand for
high-abundant, low-cost semiconducting photocatalysts towards sustainable energy harvesting.1 Even
though g-C3N4 heralds a great promise as a metal-free inexpensive photocatalyst, its efficiency has been
limited due to low visible light absorption, stacked layers-driven restricted mass-transfer and poor
charge-transfer dynamics.2 Although many attempts have been made to exfoliate the layers and tune the
photophysics but executed with either complex synthetic steps or very low yield.3 Herein, we
demonstrate a one-step synthesis of randomly curved, porous g-C3N4 with high surface area and
counter-intuitively red-shifted absorbance. In-situ generated covalent links between two adjacent C3N4
layers brought tremendous structural stability, arresting the mass-loss during calcination of precursors,
leading to a high-yield of final material. Non-planarity arising because of sp3-C atoms linking two
nanosheets results in loss of conductivity, reflected in increased charge-transfer resistance. A facile
edge-functionalization of as-synthesized covalently interconnected C3N4 troubleshoot the issue towards
facile charge-transfer by improved interaction with co-catalyst (Pt), boosting enhanced H2 evolution
from 6 times to 25 times over bare one under visible-light irradiation. Finally, the enhanced
photocatalytic activities of both the photocatalysts were correlated with the charge-transfer dynamics as
revealed from transient absorption spectroscopy.
References
1. K. Takanabe, ACS catalysis, 2017, 7, 8006-8022
2. X. Wang, K. Maeda, A. Thomas, K. Takanabe, G. Xin, J.M. Carlsson, K. Domen, M. Antonietti, Nature
Materials,
3. 2009, 8, 76-80
4. S. Yang, Y. Gong, J. Zhang, L. Zhan, L. Ma, Z. Fang, R. Vajtai, X.Wang, P.M. Ajayan, Advanced
Materials, 2013,
5. 25, 2452-2456
94
P-020
CO2 conversion into light olefins (C2-C4) over K promoted bimetallic ZrO2 Catalyst
Himanshu Raghav, Bipul Sarkar*
CSIR-Indian Institute of Petroleum, Dehradun-248005, India. E-mail: [email protected],
[email protected]
Abstract
Production of light olefins (Ethylene, propylene, butene, etc.) is a broad research field that is
continuously expanding, as the demand is regularly increasing worldwide. In the past few years, the
production of (C2-C4=) olefins, particularly from carbon-rich sources, such as crude oil, natural gas,
coal, and biomass, has received considerable attention[1]. Recently, CO2 has been an alternative source
of carbon to manufacture a lot of precious petrochemicals. Therefore, we can also use CO2 as a
feedstock to produce light olefins (C2-C 4 =). Light olefins are the basic building blocks for
petrochemical and are essential intermediates in the chemical industries. The production of light olefins
using the K-promoted bimetallic ZrO2 supported catalyst in a single step via modified Fischer- Tropsch
synthesis (M-FTS) was demonstrated in this work. Large surface mesoporous ZrO2 support was
synthesized using an innovative method. Under the optimized condition, 5% K promoted catalyst shows
good CO2 conversion result with 15.6 % C2-C4= yield at 340°C, 20 bar. CO2 conversion and light
olefins selectivity were almost constant during the 100-hr time-on-stream experiment, indicating
excellent stability of the catalyst. Fresh and spent catalysts were investigated by x-ray diffraction,
Transmission electron microscopy, scanning electron microscopy, x-ray photoelectron spectroscopy,
and Py-IR analysis.
References
1. G. Centi, G. Iaquaniello and S. Perathoner, ChemSusChem, 2011, 4, 1265–1273
95
P-021
Direct slurry-phase hydrocracking of crude oil using trimetallic nanocatalyst

Ashutosh Rawat, Sonu Dhakla, Samir K. Maity, Prem Lama*
Distillate And Heavy Oil Processing Division (DHOP), CSIR-Indian Institute of Petroleum, Dehradun
248005, Uttarakhand, India
E-mail: [email protected], [email protected], [email protected],
[email protected]
Abstract
Crude to chemicals has become a very relevant topic to the refineries to acquire supreme profit.1 In this
respect, slurry hydrocracking of crude oil plays an essential role to upgrade the crude oil as an upfront
process.2 Three different trimetallic NiCoMo dispersed catalysts i.e., as-synthesized (AS), oil soluble
(OS) and sulfided (PS) catalyst have been synthesized for upgradation of Bombay High crude oil using
slurry- phase hydrocracking. Upon hydrocracking of the crude oil, the quality of the liquid product was
enhanced and characterized using simulated distillation, viscometer, SARA (saturate, aromatic, resin,
asphaltene) analysis. From the hydrocracking reaction using AS catalyst, the results show a decrease in
the amount of heavy VGO (> 450 °C hydrocarbons) from 9.27 to 6.99 wt% and an increase in middle
distillate (150 °C-350
°C) from 34.75 to 43.14 wt%. Using OS catalyst, the heavy VGO decreased from 9.27 to 5.59 wt% and
middle distillate increased from 34.75 to 41.4 wt%. Finally, when PS catalyst was used, the heavy VGO
decreased from 9.27 to 6.35 wt% and middle distillate increased from 34.75 to 52.92 wt%. Additionally,
the asphaltene, vacuum residue, viscosity, micro carbon residue also gets decreased in the hydrocracked
liquid product thereby revealing the synergistic catalytic effect of trimetallic NiCoMo dispersed
nanocatalysts.
References
1. VDO. Rodrigues, ACF. Júnior. Applied Catalysis A: General 2012., 435-436, 68-77.
2. R. Prajapati, K. Kohli, SK. Maity. Fuel 2021., 288, 119686.
96
P-022
W-doped Bi2MoO6 nanosheets for efficient photocatalytic nitrogen fixation

Manisha Sharma1, Ashish Kumar1, Shilpi Jaiswal2, Abhijit Patra2 and Venkata Krishnan1* 1School of
Chemical Sciences and Advanced Materials Research Center, Indian Institute of Technology Mandi,
Kamand, Mandi 175075, Himachal Pradesh, India.
2
Department of Chemistry, Indian Institute of Science Education and Research Bhopal, Madhya Pradesh
462066, India.
Abstract
NH3, being the raw material for various fertilizers and pharmaceutical products holds great importance
in chemical industries1. The conventional way of producing NH3 which is the Haber-Bosch process is
neither green nor sustainable because of its high energy demands. This process consumes about 1-3% of
global annual energy2. In recent years, the photocatalytic reduction of N2 into NH3 has become a hot
topic due to its green, sustainable, and cost-effective approach3. In this work, we have synthesized W-
doped Bi2MoO6 nanosheets in various molar ratios and compared their photocatalytic activity to
produce NH3. It was found that the photocatalytic activity for the BMWO 0.4 was increased 13 times
more than pristine Bi2MoO6. The production of NH3 was increased to 71 µmol for BMWO 0.4 in 120
min. The increased photocatalytic activity could be attributed to the lattice distortions because of Mo
substitution by the W atom. Also, the presence of oxygen vacancies in BMWO 0.4 led to more
absorption of visible light as well as decreased the recombination of charge carriers. The stability and
recyclability of the photocatalyst makes it a promising material for photocatalytic nitrogen fixation and
provides an insight into the structurally induced activity of the photocatalysts.
References
1. Q. Y. Liu, H. D. Wang, R. Tang, Q. Cheng, Y. J. Yuan, ACS Applied Nano Materials 2021, 4 (9), 8674-
8679.
2. Kumar, V. Krishnan, Advanced Functional Materials 2021, 31 (28), 2009807.
3. Kumar; M. Kumar, V. N. Rao, M. V. Shankar, S. Bhattacharya, V. Krishnan, Journal of Materials Chemistry
A 2021, 9 (31), 17006-17018.
97
P-023
Amine functionalized graphitic carbon nitride as a sustainable, metal- free catalyst

for knoevenagel condensation
Kamlesh Kumari, Priyanka Choudhary, Devendra Sharma, and Venkata Krishnan*
School of Chemical Sciences and Advanced Materials Research Center,
Indian Institute of Technology Mandi, Kamand, Mandi 175075, Himachal Pradesh, India.
Abstract
The most difficult aspect of synthetic organic chemistry is to perform the organic reactions for the
production of chemicals by using a novel, green and sustainable approach.1, 2 With the ever-increasing
issues involving the environment and safety, the need for the development of novel methodologies for
performing chemical transformation reactions is also rising. So, need for the development of catalytic
systems which can provide a green approach for such chemical transformations is highly needed.3
In this work, amine functionalized graphitic carbon nitride (NH2- GCN) was prepared and used as a
heterogeneous base catalyst for Knoevenagel condensation reaction. The amine functionalization has
increased basicity due to the presence of additional -NH2 groups. The as-synthesized NH2-GCN was
characterized by using various techniques like PXRD, Raman, FTIR, BET, SEM, TEM, and TGA. The
catalytic potential was tested for Knoevenagel condensation, which showed a good catalytic activity. The
detailed optimizations of various reaction conditions such as, time, catalyst amount, and temperature were
performed. Catalyst also showed high yield and high turnover number. In addition to that, green metrics
calculations were determined. To check the heterogeneous nature of the catalyst, recyclability studies
were performed. This catalyst provides a green, sustainable, and metal-free approach for Knoevenagel
condensation reaction.
References
1. Choudhary, P.; Bahuguna, A.; Kumar, A.; Dhankhar, S. S.; Nagaraja, C.; Krishnan, V., Oxidized graphitic
carbon nitride as a sustainable metal-free catalyst for hydrogen transfer reactions under mild conditions.
Green Chemistry 2020, 22 (15), 5084-5095.
2. Bahuguna, A.; Choudhary, P.; Chhabra, T.; Krishnan, V., Ammonia-doped polyaniline–graphitic carbon
nitride nanocomposite as a heterogeneous green catalyst for synthesis of indole-substituted 4 H-chromenes.
ACS omega 2018, 3 (9), 12163-12178.
3. Wang, X.; Blechert, S.; Antonietti, M., Polymeric graphitic carbon nitride for heterogeneous photocatalysis.
Acs Catalysis 2012, 2 (8), 1596-1606.
98
P-024
Hydrodechlorination of 4-Chlorophenol: Mechanistic insights and rational catalyst

design
Chaitra. S. Shenoy#, Shelaka Gupta$, Mayank Agrawal+, Tuhin. S. Khan*, M. Ali Haider#
#
Department of Chemical Engineering, Indian Institute of Technology Delhi, Hauz Khas, New Delhi
110016, India $Department of Chemical Engineering, Indian Institute of Technology Hyderabad, Kandi,
Sangareddy, Telangana 502285, India School of Engineering, Brown University, Providence, RI, USA
02912 *Light Stock Processing Division, CSIR - Indian Institute of Petroleum, Mohkampur, Dehradun
248005, India
[email protected], [email protected]
Abstract
The present work explores the hydrodechlorination pathway of 4-Chlorophenol (4CP), a halogenated
contaminant presents in drinking water, on terrace Pd (111) and Pd (100) sites and step Pd (211) surface
using density functional theory (DFT) simulations in vacuum. 4CP undergoes dechlorination (C-Cl bond
cleavage) to form phenol, followed by hydrogenation steps to form partially hydrogenated and completely
hydrogenated products – cyclohexanone and cyclohexanol, respectively1. Due to C-Cl bond cleavage,
chlorine binds quite strongly (binding energy > -165 kJ/mol)2 and hence poisons the Pd surface, which
has also been observed experimentally. Umbrella sampling calculations have been used to understand the
desorption of chlorine from Pd surface in presence of water. The simulations showed that the desorption
of chlorine in water is significantly lower compared to the vacuum phase. This shows that water aids in
easy desorption of chlorine. Furthermore, in this work, Pd metal based A3B type3,4 of alloys (where A =
Pd, B = Au, Ag, Cu) are designed to reduce the effect of deactivation5 caused due to Cl adsorption on the
Pd surface.
References
1. G. Porwal, S. Gupta, S. Sreedhala, J. Elizabeth, T. S. Khan, M. Ali Haider, C. P. Vinod, ACS Sustain.
Chem. Eng., 2019,
2. 7, 17126.
3. C. S. Shenoy, T. S. Khan, K. Verma, M. Tsige, K. C. Jha, M. Ali Haider, S. Gupta, React. Chem. Eng.,
2021, 6, 2270.
4. F. Jalid, T. S. Khan, M. A. Haider, Catal. Sci. Technol., 2021, 11, 97.
5. F. Jalid, T. S. Khan, M. A. Haider, Appl. Energy, 2021, 299, 117284.
6. S. Gupta, T. S. Khan, B. Saha, M. A. Haider, Ind. Eng. Chem. Res., 2019, 58, 16153.
99
P-025
Electrocatalytic hydrogen evolution and photocatalytic organic pollutants

degradations using ZnO nanoflake/Ti3C2 MXene composites
Bhagirath Saini, Rahul Singhal, and Rakesh K. Sharma*
Sustainable Materials and Catalysis Research Laboratory (SMCRL), Department of Chemistry, Indian
Institute of Technology Jodhpur, Karwar, Jodhpur-342037, India.
Abstract
Herein, we report a simple hydrothermal synthesis of ZnO-Ti3C2 MXene nanocomposites1 with a
varying wt. % of ZnO to exploit the synergistic effect of 2D layer structured Ti3C2 and semiconductor
ZnO for photocatalysis and electrocatalysis applications. Interestingly, Ti3C2 has a variable bandgap
of 0.05 and 0.1 eV owing to the terminal groups −OH and −F, respectively. This narrow bandgap
energy is beneficial for electrocatalytic2 and photocatalytic applications3. A systematic study on the
efficiency of ZnO-Ti3C2 nanocomposites toward the degradation of organic pollutants (dyes and
pharmaceuticals) and the hydrogen evolution reaction (HER) is demonstrated. Among the developed
nanohybrid catalysts, the ZnO- Ti3C2 composite with 10 wt % ZnO showed the highest
photodegradation efficiency of 76.4% within 10 min of the reaction and 99.2% in 60 min for methylene
blue (MB) dye. The ZnO- Ti3C2 nanocomposite with 5 wt % ZnO showed excellent HER performance
and exhibited an overpotential of 495 mV at 10 mA/cm2 with a Tafel slope of 108 mV/dec. The
synergistic interactions between 2D layered Ti3C2 and ZnO improved the lifetime of electrons and holes
by reducing the recombination rate. The uncombined electrons and holes facilitated the effective
degradation of the MB dye.
References
1. Saini, H. K, D. Laishram, R. Krishnapriya, R. Singhal and R. K. Sharma, ACS Applied Nano Materials,
2022, 5, 9319-9333.
2. Z. Kang, M. A. Khan, Y. Gong, R. Javed, Y. Xu, D. Ye, H. Zhao and J. Zhang, Journal of Materials
Chemistry A, 2021, 9, 6089-6108.
3. Y. Ibrahim, M. Meslam, K. Eid, B. Salah, A. M. Abdullah, K. I. Ozoemena, A. Elzatahry, M. A. Sharaf and
M. Sillanpää, Separation and Purification Technology, 2022, 282, 120083.
100
P-026
Fe hotspots in nickel boride nanocatalyst unravel cooperative interactions that boost

hydrogen production with enzyme-like kinetics
Rajani Kumar Borah,a,b Adarsh Fatrekar,a,b Pratibha Bakre,c Santosh Tilve, *c Amit A. Vernekar *a,b
a
Inorganic and Physical Chemistry Laboratory, Council of Scientific and Industrial Research (CSIR)-
Central Leather Research Institute (CLRI), Adyar, Chennai-600020, India
b
Academy of Scientific and Innovative Research (AcSIR), Ghaziabad-201002, India
c
School of Chemical Sciences, Goa University, Taleigao Plateau-403206, Goa, India E-mail:
Abstract
Dwindling fossil fuel resources and their adverse impact on the environment upon combustion raises an
urgent demand for eco-friendly and sustainable fuels.1,2 Hydrogen is emerging as a clean alternative
because of its high energy density (142 MJ/kg),3 and therefore, solid chemical hydrogen storage systems
are under intensive focus. In this work, we synthesized Ni-Ni3B nanoparticles containing fractional Fe
hotspots by co-chemical reduction pathway. 10% Fe-Ni-Ni3B catalyst showed excellent activity towards
hydrogen production from ammonia borane (AB, containing 19.6 wt% hydrogen)4,5 with a rate of ~8500
mL min-1 g-1, turnover frequency ofcatalyst
~293 mol mol -1 min-1 and activationH2energy -1
Fe (Ea) of 39.95 kJ mol ,
which are remarkable for a non-noble metal catalyst. The kinetic studies showed that the Fe hotspots
remarkably transform the kinetics to follow Michaelis Menten-like behavior with Michaelis constant (KM)
as high as 0.58 M, thus facilitating efficient H2 release by the decomposition of AB-catalyst complex.
Due to its magnetic nature, the catalyst is highly recyclable (12 cycles) with a slight diminished activity.
A detailed characterization of the catalyst and experimental evidences inform that the fractional Fe acts
as an activator for boosting the hydrogen production rate with peculiar enzyme-like kinetics, which is
rarely demonstrated by heterogeneous catalysts.
References
1. M. S. Dresselhaus, I. L. Thomas, Nature, 2001, 414, 332
2. S. Chu, A. Majumdar, Nature, 2012, 488, 294
3. L. Schlapbach, A. Zuttel, Nature, 2001, 414, 353
4. W. Hamilton, R. T. Baker, A. Staubitz, I. Manners, Chem. Soc. Rev., 2009, 38, 279
5. D. Mboyi, D. Poinsot, J. Roger, K. Fagerwerg, M. L. Khan, J. Hierso, Small, 2021, 17, 2102759
101
P-027
SERS study of cystine on Cu cluster : A computational approach

Poonam Bhadoria, Venkatnarayan Ramanathan*
Department of Chemistry, Indian Institute of Technology (BHU), Uttar Pradesh, India.
Abstract
Disulfide linkage in cystine plays important role for the stability of secondary and tertiary proteins. The
SERS (Surface-enhanced Raman scattering) spectroscopy has been widely used to probe the stability of
disulfide in cystine using different metal substrates like Au, Ag and Cu1,2. In this study, the SERS
simulation of cystine on Cu cluster has been performed at B3LYP/LANL2DZ/6-311++G(d,p) level of
theory. It was observed that cystine interacts with copper cluster majorly through its disulfide and –
COOH groups. The disappearance of the –S-S- stretching mode in the calculated SERS spectrum
confirmed the cleavage of disulfide linkage which is in accordance with the earlier reported
experimental study2. Also, the peaks observed due to Cu-S and Cu-O stretching mode inferred that the
cystine is chemisorbed on Cu cluster. Other calculations namely NBO(Natural bond orbital),
FMO(Frontier molecular orbital), MK[ESP](Merz kollman electrostatic potential) charge and
DOS(Density of states) calculations supported the above mentioned results significantly. This
computational study were found to be in good agreement with the earlier reported experimental study2.
References
1. E. Lopez-Tobar, B.Hernandez, M. Ghomi, and S.S. Corts, The Journal of Physical Chemistry C,
2013,117,3, 1531-1537
2. P. J. Arathi, S. Bhaskar, G. Rajendra Kumar Reddy, P. Suresh Kumar, and V. Ramanathan,
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,2018,196, 229-232
102
P-028
electrochemical conversion of CO2 to formic acid and syngas using novel CuO/Bi
(1D/2D) heterostructure electrocatalyst
P. Senthilkumar, Mamata Mohapatra* and Suddhasatwa Basu*
CSIR-Institute of Minerals and Materials Technology, Bhubaneswar 751013, Odisha, India
*E-mail: [email protected]; [email protected]; [email protected]
Abstract
The unprecedented raise of CO2 in atmosphere due to a huge consumption of fossil fuels has led to global
warming and climate change. There is a warning message with the concentration of CO 2 in atmosphere
i.e. 416.77 ppm as of 2020 and it is forecast to lift up to 570 ppm by 21001. Carbon capture, utilization
and sequestration technology has the potential to address these issues of which electrochemical CO 2
reduction (ECOR) directly converts CO2 into variety of valuable chemicals and feedstocks. Among
significant ECOR products, formic acid (HCOOH) and syngas (CO+H2) have the economic viability
owing to its high market value (1000$/ton)2 and it can be a hydrogen storage media as its storage capacity
can exceed 580 times that of same volume of H2 gas at ambient temperature and pressure3. Thus, we
develop and characterize a novel CuO/Bi heterostructure for ECOR to HCOOH and (CO+H2) by H-type
reactor. The electrochemical-analytical techniques were employed to study the mechanism behind ECOR
and the products were quantified via in-situ gas chromatography and NMR measurements. We observed
1D/2D morphologies from CuO nanorods to Bi nanosheets with an enriched surface area. The current
density and faradaic efficiency have been enhanced (> 50 mA cm-2 and ~ 40% against HCOOH at -1.4 V
vs. Ag/AgCl) with stability of 4 hours and the reaction pathway has been explored by density functional
theory. Hence, this investigation showcases the role of ECOR to HCOOH and (CO+H 2) production in
de-carbonization and H2 energy storage technologies4.
References
1. E. Ruiz-Lopez, J. Gandara-Loe, F. Baena-Moreno, T. Ramirez Reina, J. Antonio Odriozola, Renew. Sustain.
Energ. Rev. 2022, 161 112329 1-26.
2. P. Senthilkumar, M. Mohapatra and S. Basu, RSC Adv., 2022, 12, 1287–1309.
3. Dai, Y. Qiu, Y. He, Q. Zhang, R. Liu, J. Du, C. Tao, New J. Chem., 2019, 43, 3493-3499
4. Z. Yang, H. Wang, X. Fei, W. Wang, Y. Zhao, X. Wang, X. Tan, Q. Zhao, H. Wang, J. Zhu, L. Zhou, H.
Ning, M. Wu, Appl. Catal. B: Environ. 2021, 298 120571 1-9.
103
P-029
High temperature stabilized defect pyrochlore Bi2-xFexWO6 nanostructures and its

effect in photo-electrochemical oxygen evolution reaction
K.Annamalai, S. Balakumar*
National Centre for Nanoscience and Nanotechnology, University of Madras, Guindy campus, Chennai,
India E-mail: [email protected]*
Abstract
Herein, Fe3+ ions substituted Bi2WO6 nanostructures have been fabricated by a simplistic co-precipitation technique
with Fe concentrations varying from X = 0, 0.2, 0.5, 1.0, and 1.5. X-ray diffraction analysis revealed orthorhombic
to tetragonal crystal structure transformation for Fe-rich composition also known as the high-temperature phase.
Electronic structural analysis through UV-DRS showcased a band gap of 2.76 eV for X = 0, whereas upon Fe
substitution, altered crystal field due to the hybridization of Fe 3d – orbital and O 2p orbital, leads to a decrease in
bandgap enhancing the efficacy of charge transfer. Band edge analysis through UPS reveals valance band edge
closer to Fermi level for X = 0.5 nominal compositions. Furthermore, photo-electrochemical analysis for OER was
performed using 0.5M Na2SO4 with the applied potential of 0 V to 1.5 V vs. Ag/AgCl. In comparison with different
Fe compositions, Bi1.5Fe0.5WO6 (X = 0.5) nominal concentration showed minimal onset potential for OER with η
𝐽𝑠𝑡
= 0.36 V, with a ratio of 5.28 proving to possess an enhanced rate of hole transfer. Additionally, the Tafel plot
𝐽0
for OER under illumination revealed a slope value of 49.6 mV/dec implying a higher reaction rate.
Reference
1. Jitta RR, Gundeboina R, Veldurthi NK, Guje R, Muga V, J. Chem. Technol. Biotechnol., 2015, 90, 1937–
48.
2. Lomakin MS, Proskurina OV, Danilovich DP, Panchuk VV, Semenov VG, Gusarov VV, 2020, 282,
121064.
3. Tingxia Hu, Haiping Li, Na Du, and Wanguo Hou, ChemCatChem, 2018, 10, 3040 – 3048.
4. Yanhui Lv, Wenqing Yao, Ruilong Zong, Yongfa Zhu, Sci. Rep., 2016, 6(1), 19347.
104
P-030
Cycloaddition of CO2 with epoxides to yield cyclic carbonates using mixed metal
oxide dispersed silanol rich mesoporous SBA-15 catalyst
Chaitra Mallannavara,b, S. Sujith a, and Ganapati V. Shanbhaga*
a
Materials Science and Catalysis Division, Poornaprajna Institute of Scientific Research,
Bidalur, Devanahalli, Bengaluru, 562164, India, Email: [email protected]
b
Graduate Studies, Manipal Academy of Higher Education (MAHE), Manipal, 576104, Karnataka,
India
Abstract
The utilization of carbon dioxide for the synthesis of value-added chemicals can help to reduce its
concentration in the atmosphere. Many green processes are being developed for such CO2 transformation
and synthesis of cyclic carbonates from epoxides by cycloaddition reaction with carbon dioxide is one
such process. In this study, mixed metal oxide with a low surface area and lower turnover number was
modified by dispersing it on a high surface area modified-SBA-15 containing high number of silanol
groups. Binary mixture of metal oxides loaded SBA-15-OH was prepared by sol-gel method using a
complexing agent and tested for this reaction. This supported catalyst showed better activity than pure
unsupported mixed oxide. The catalyst was characterized using different techniques such as XRD, N2-
sorption, H2-TPR, CO2-TPD, NH3-TPD, HRTEM etc to understand its structural and textural properties.
Different compositions of active metal oxides on the modified support (SBA-15-OH) were studied. The
optimized catalyst recipe gave a better activity with 74.8% conversion of styrene oxide and 86.8%
selectivity of styrene carbonate at moderate temperature and pressure in 4 hours. Different epoxides were
tested for the general applicability of the catalyst to make variety of cyclic carbonates. The activity of the
catalyst was correlated with its physicochemical properties.
References
1. Kulal, Nagendra, Vaishnavi Vasista, and Ganapati V. Shanbhag. Journal of CO2 Utilization 33 (2019): 434-
444.
2. M. Aresta, A. Dibenedetto, A. Angelini, Chemical reviews, 114 (2014) 1709-1742.
3. Nagendra Kulal, Rajappan Vetrivel, C. S. Gopinath, Rahul K., Ravindra, Vinod N. Rao, Manjunath Shetty,
R. Shrikant, Dinesh Rangappa, Ganapati V. Shanbhag* Chemical Engineering Journal 419 (2021): 129439.
4. Shanbhag, Ganapati V., Nagendra Kulal, and B. J. Vaishnavi. Climate Change and Green Chemistry of
CO2 Sequestration. Springer, Singapore, 2021. 141-169.
105
P-031
Studies on CO2 valorization through syngas for direct synthesis of DME

Chanchal Samanta*,Sonal Asthana, Chiranjeevi Thota, Bharat L. Newalkar, Ravikumar V
Corporate R&D centre, Bharat Petroleum Corporation Ltd, Plot No 2A, Udyog Kendra, Greater Noida-
201306, U.P. India
*Presenting author email: [email protected];[email protected]
Abstract
CO2 valorization to fuels/chemicals is an important strategy to mitigate rising concern of climate change
due to excessive CO2 emission into the atmosphere. One of the important chemicals that can be produced
from CO2 through syngas is dimethyl ether (DME) which is a promising fuel of 21st century [1]. Under
NITI AAYOG’s energy security and clean fuel roadmap, India is currently considering DME as an
alternative cleaner fuel for transportation [2].
Conventionally, DME is produced through indirect method wherein syngas produced from coal, natural
gas or biomass is first converted to methanol and then methanol is converted to DME through its
dehydration separately. Due to inherent thermodynamic limitations, typical per pass conversion of CO to
methanol is limited to 16-40% (depending on the operating T and P), requiring huge recycling of
unconverted syngas. Thus, economics of DME synthesis largely depends on the cost of methanol
production, which becomes economical only in large scale production.
Direct DME synthesis from syngas, on the other hand, offers better alternative due to its inherent
thermodynamic advantages in achieving higher per pass syngas conversion, thus improving the overall
economy of the process. Thus, development of highly active and selective bi-functional catalyst offers
opportunities and challenges for direct synthesis of DME.
At Bharat Petroleum Corporation Limited’s (BPCL) R&D, significant efforts are being made for the
development of novel bi-functional catalyst system for direct synthesis of DME from syngas by
investigating various synthesis routes [3-5] which will be presented.
References
1. DME : Multi-Source, Multi-Purpose Clean Fuel, C. Samanta, R. K. Voolapalli, A. Bordoloi, M.O. Garg, The
Journal of petroleum Federation of India, Vol 13, issue 3, pp 33-38, July-Sep 2014.
2. V.K.Saraswat, R. Bansal: India’s Leapfrog to Methanol Economy
(http://niti.gov.in/writereaddata/files/document_publication/Article%20on%20Met
hanol%20Economy_Website.pdf)
3. Method of preparation of mixed metal oxide using glucose assisted precipitation, Sonal Asthana, Chanchal
Samanta, Ravikumar V, S. Bhargava, Basudeb Saha, US 10,661,253 B2, date of patent 26 May, 2020.
4. Direct conversion of syngas to DME: Synthesis of new Cu-based hybrid catalysts using Fehling’s solution,
elimination of the calcination step,
5. Sonal Asthana, Chanchal Samanta, Ravi Kumar Voolapalli, Basudeb Saha, J. Mater. Chem. A, 2017,5,
2649-2663, http://dx.doi.org/10.1039/C6TA09038A.
6. Steering the Aspects of MgO-Induced Structure Sensitivity in Cu-Based Catalysts for CO2-Rich Syngas
Conversion to Dimethyl Ether: Cu/Zn Ratio and Lattice Parameters, Asthana, S., Samanta, C., Saha, B.,
Voolapalli, R.K., Pant, K.K., Energy and Fuels, 2022, 36(5), pp. 2673–2687
106
P-032
Calixarene catalysed asymmetric michael addition reaction

Apoorva Malik, Pragati R Sharma, Sateesh Bandaru, Kanika, and Rakesh K Sharma*
Department of Chemistry, Indian Institute of Technology Jodhpur, Jodhpur, India.
Abstract
Calixarene supramolecular catalysis has drawn incredible interest in the last two decades.1 Calixarenes
are considered an ideal scaffold due to their rigid shape with ease of functionalization. The synthetic
flexibility of calixarenes makes them suitable candidates for a wide range of applications, including
molecular recognition, sensors, catalysis, drug delivery, and separation science.2 Interestingly, their
hydrogen bond donating and noncovalent interaction ability make them active organocatalysis. 3 Upon
chiral functionalization, the calixarene scaffold could serve as asymmetric organocatalysts for organic
transformations. The current poster presentation will show lower-rim Cinchona anchored calix[4]arene
cationic catalysts for asymmetric Michael addition of acetylacetone to β-nitrostyrenes with excellent yield
(~99%) and enantioselectivity (>99% ee) for variety of Michael adduct4. Density functional theory
investigations are carried out to understand catalyst-substrate interaction and energetics for high
enantioselectivities.
References
1. J. Meeuwissen and J. N. Reek, Nature Chemistry, 2010, 2, 615-621.
2. M. Schulz, A. Gehl, J. Schlenkrich, H. A. Schulze, S. Zimmermann and A. Schaate, Angew Chem Int Ed
Engl, 2018, 57, 12961-12965.
3. H. Hong, H. Wang, C. Zheng, G. Zhao and Y. Shang, Chinese Chemical Letters, 2021, 32, 708-712.
4. P. R. Sharma, A. Malik, S. Bandaru, K. Vasisth, N. K. Rana and R. K. Sharma, Chem.Comm., 2022, 58,
7249- 7252
107
P-033
Effect of Ce doping on CoFe layered double hydroxide for heterogeneous water

oxidation
Parul Aggarwal and Amit Paul*
Indian Institute of Science Education and Research
Abstract
The massive use of fossil fuels has resulted in increasing energy crisis and environmental pollution.
Electrocatalytic water oxidation (WO) has provided a promising approach to generate hydrogen which is
a clean and renewable energy carrier. The primary bottleneck for WO is oxygen evolution reaction (OER)
wherein a high overpotential is required to drive the reaction due to sluggish kinetics of the reaction which
involves 4e-/4H+ transfer.1-3 The proposed research aims to develop first row transition metal4,5 based
layered double hydroxide (LDH) for heterogeneous WO. LDH is a class of layered ionic solid structure
which consist of positively charged brucite-like layers and anions or neutral molecules in between the
layers having electrostatic interaction. Herein, a series of LDH using earth-abundant first row transition
metals such as Co/Fe-LDH was synthesised. The key findings of this work include:
(i) Utilization of cost effective first row transition metals for WO in alkaline medium. (ii) Higher ionic
radius of Ce4+ than Fe3+/Co2+ alters the topology of the layer and bring lattice defects which can increase
the active sites for WO. (iii) LDH having varying interlamellar space for the reactants to get adsorbed on
the surface. Hence, this study for water oxidation will open a new and cheap design strategy to meet the
goal of global-scale clean energy production.
References
1. Suen, N. T.; Hung, S. F.; Quan, Q.; Zhang, N.; Xu, Y. J.; Chen, H. M. Chem. Soc. Rev. 2017, 46, 337−365.
2. Hunter, B. M.; Gray, H. B.; Muller, A. M. Chem. Rev. 2016, 116, 14120−14136.
3. Tahir, M.; Pan, L.; Idrees, F.; Zhang, X.; Wang, L.; Zou, J.-J.; Wang, Z. L. Nano Energy 2017, 37, 136−157.
4. Park, S.; Shao, Y.; Liu, J.; Wang, Y. Energy Environ. Sci. 2012, 5, 9331−9344.
5. Singh, A.; Spiccia, L. Coord. Chem. Rev. 2013, 257, 2607−2622.
108
P-034
Electrocatalytic reduction of CO2 using Vitamin B12 anchored multiwalled carbon

nanotube- chemically modified electrode
Yesudas K Yashlya, Buvaneswari Gopala*, Annamalai Senthil Kumara,b,* aDepartment of Chemistry,
School of Advanced Sciences, Vellore Institute of Technology University, Vellore – 632 014, Tamil Nadu,
India bCarbon dioxide and Green Technology Research Centre, Vellore Institute of Technology University,
Vellore – 632 014, Tamil Nadu, India
Corresponding Author’s E-mail: [email protected] and phone number; +91-4162202754
Abstract
The emission of CO2 from decomposition, burning of fossil fuels and industrialization has led to severe
rise in global average temperature within the past decade. Hence, reduction of CO2 and converting it into
value- added products is the need of the hour. Electrochemical CO2 reduction has numerous advantages
over conventional methods for CO2 capture and utilization, such as very small quantity of catalyst
requirement, high product selectivity and reaction carried out at ambient condition1. In our work, we have
successfully developed a stable, naturally occurring Cobalt complex, Vitamin B12 (VitB12) anchored
multiwalled carbon nanotube (MWCNT) chemically modified electrode for highly selective
electrochemical CO2 reduction reaction (CO2RR). The Vitamin B12 modified electrode showed a well-
defined surface-confined redox peak at apparent standard electrode potential, Eo’= -0.72V vs. Ag/AgCl.
A systematic electrocatalytic CO2RR has been studied. It has been found that the current efficiency
noticed in this work is much higher than that of various solid electrodes like Au, Cu, CuO, NiO used for
CO2RR2-3.
References
1. N. Saravanan, M. Balamurugan, K.S.S. Devi, K. T. Nam, and A. S. Kumar, ChemSusChem. 13, 5620-5624
(2020)
2. Goyal, G. Marcandalli, V. A. Mints and M. T. M. Koper, Am. Chem. Soc.142, 4154–4161(2020)
3. R. Chetty, Chemistryselect 6, 2887-2892 (2021)
109
P-035
CO2 fixation into cyclic carbonates over recyclable Co doped ZrO2 catalyst with
solvent-free approach
Neha Choudhary, Shaikh M. Mobin*
Department of Chemistry, Indian Institute of Technology-Indore (IIT-Indore), Simrol, India.
Abstract
Fixation of the greenhouse gas CO2 via cycloaddition reactions to value-added chemicals like cyclic
carbonates is an important transformation reaction.[1] Herein, Cobalt doped ZrO2 nanocatalyst synthesized
and utilized for CO2 fixation into epoxides to produce cyclic carbonates. The PXRD analysis confirmed
the formation of Co doped ZrO2 single atom catalyst with tetragonal ZrO2 form.[2] The N2 adsorption-
desorption study revealed the high surface area of 75.515 m2/g which helps to provide more active sites
for the cycloaddition of CO2 to epoxides. Various epoxides have been utilized as substrate to yield the
respective cyclic carbonate with 100% conversion and 100% selectivity with the use of minimal amount
of TBAB. The reaction shows excellent substrate scope compatibility with mild reaction condition and
time. The catalytic reaction was performed in solvent- free conditions which make it cost-effective,
greener, environmentally benign. The catalyst showed excellent recyclability up to six cycles.
References
1. S. Payra, S. Roy, J. Phys. Chem. C 2021, 125, 8497–8507.
2. N. H. M. Dostagir, R. Rattanawan, M. Gao, J. Ota, J. Hasegawa, K. Asakura, A. Fukouka, A. Shrotri, ACS
Catal.
3. 2021, 11, 9450–9461.
110
P-036
3D Cu(II)-MOF with lewis acid−base dual functional sites for chemical fixation of
CO2 via cyclic carbonate synthesis
Nikita Guha, Dhirendra K. Rai*
Discipline of Metallurgy Engineering and Materials Science, Indian Institute of Technology Indore, Simrol, Indore
453552, India.
Abstract
A 3D porous Cu(II)-MOF (1), having Lewis acid−base dual-functional sites, has been utilized, whose
frameworks have two types of 1D channels decorated with both axially water-bound metal sites and weak
base, i.e., tertiary amine groups in the crystallographic c-axis. Upon activation under a high vacuum at
120 °C, the axial water molecule is removed and affords a solvent-free and unsaturated Lewis acidic
Cu(II) containing framework (1'). The piperazine functionalities from the linkers enhance the selective
adsorption of CO2 which, in turn, facilitate the further interaction with the open Cu(II) metal centers,
leading to catalytic chemical fixation of CO2 into five-membered cyclic carbonates, in the presence of
epoxides and co-catalyst TBAB, under mild and solvent free reaction conditions. The significance of dual
functionalization and the synergy with TBAB on adeptly catalyzed CO2 fixation are explored using
several epoxides, and substantial conversion is achieved. Moreover, the catalyst 1' displays satisfactory
stability and easy recyclability for five consecutive cycles without any appreciable loss in its catalytic
activity.
Keywords: Metal-organic frameworks (MOFs), Heterogeneous catalysis, CO2 chemical fixation,

Cyclic carbonates, Mild conditions
Acknowledgement
D. K. R. thanks DST-SERB, New Delhi (Project No. YSS/2015/000034) for financial support. N. G.
thanks IIT Indore for doctoral research fellowship.
111
P-037
Organocatalyzed chemical fixation of CO2 to access spiro-cyclic carbonate

Shilpa Dabas, Saravanan Subramanian*
Central Salt and Marine Chemicals Research Institute, Bhavnagar Gujarat, 364002, India Academy of Scientific
and Innovative Research, Gaziabad, UP, 201002, India
Abstract
The chemical fixation of carbon dioxide into stable chemical molecules with the use of renewable energy
sources will have potential values in decades to come. Conversion of spent carbon into working carbon
is an appealing strategy that not only boosts the economic incentives in terms of CO2 utilization but also
paves the path to access diverse commodity chemicals.1 While gratifyingly acknowledging the literature
precedents,2-5still plenty of rooms remain available to develop a better catalytic system for CO2 fixation.
In this context, we recently identified a simple and efficient metal-free bifunctional catalyst for the
chemical fixation of CO2 with uncommon epoxide moiety such as spiro-epoxyoxindoles. The simple
bifunctional catalyst developed here provides an atom-economic approach to access spiro- cyclic
carbonates. The advantages of the catalytic system include easy to synthesis, derived from economically
viable chemical sources and with the use of CO2 at atmospheric pressure and ambient temperature.
References
1. S. Subramanian, Y. Song, D. Kim, and C. T. Yavuz, Redox and Nonredox CO 2 Utilization: Dry Reforming of Methane and
Catalytic Cyclic Carbonate Formation, ACS Energy Lett. 2020, 5, 1689−1700,
2. S. Sun, H. Sun, P. T. Williams and C. Wu, Recent advances in integrated CO2 capture and utilization: a review, Sustainable
Energy Fuels, 2021, 5, 4546
3. P. P. Pescarmona, Cyclic carbonates synthesised from CO2: Applications, challenges and recent research trends, Current
Opinion in Green and Sustainable Chemistry 2021, 29:100457.
4. S. Subramanian, J. Oppenheim, D. Kim, T. S. Nguyen, W. M.H. Silo, B. Kim, W. A. Goddard and C.

T. Yavuz, Catalytic Non-redox Carbon Dioxide Fixation in Cyclic Carbonates Chem, 2019, 5, 1–11.
5. R. Arunachalam, E. Chinnaraja, S. Subramanian, E. Suresh, and P. S. Subramanian, Catalytic Conversion of Carbon Dioxide
Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol, ACS Omega 2020, 5, 25, 14890–
14899.
112
P-038
Operando studies on high temperature CO2 electroreduction to CO using mixed

metal cathodes
Vipin Kamboj, Chinmoy Ranjan*

Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bengaluru, India
Abstract
Using renewable energy for electroreduction of CO2 to fuels significantly help in reducing emissions and
dependence of fossil fuels. As the electrochemical reduction of CO2 to hydrocarbon fuels (CHx) is a
multistep-multielectron transfer process, it is energy inefficient because of the kinetic limitations. The
selective conversion of CO2 to CO is energy efficient. CO produced can be directly used as a fuel or
converted to hydrocarbon fuels by using green hydrogen via Fischer-Tropsch reactions. We have
proposed Ni(M)x/YSZ-based electrodes for electroreduction of CO2 on solid oxide cells at high
temperature (~800∘C).
Online mass spectroscopy and operando Raman spectroscopy were used to understand the behaviour of
electrodes during CO2 electrolysis. Ni/YSZ electrodes showed sustained performance only when H2 was
added to the fuel mixture, and the reaction proceeded through a reverse water gas shift reaction (CO 2 +
H2 CO + H2O) in conjunction with water electrolysis with the CO originating from non-
electrochemical RWGS reaction.
The pure Ni/YSZ cathodes showed deactivation under a pure CO2 atmosphere with the formation of NiOx
species with the catastrophic breakdown at high current densities around 400 mA/cm2. The behaviour
could be verified using both mass spectroscopy and operando Raman Spectroscopy.
113
P-039
Hydrogenation of Lignin-Derived Feedstocks and Bio-oil using Active and Stable

Ruthenium Catalyst
Baint Singh, Raju Kumar, Kishore Natte, * Anand Narani *
Biofuels Division CSIR-Indian Institute of Petroleum, Haridwar Road, Mohkampur, Dehradun-248005,
Uttarakhand, India
Abstract: Value addition of lignin-derived phenols into high-value chemicals and fuels is highly
desirable and beneficial for bio-refineries owing to their broad applications in chemical and polymer
industries. Here we present a selective hydrogenation of various lignin-derived phenols into cyclohexanol
and its derivatives using SiO2-Al2O3 supported stable and reusable Ru nanoparticles (Ru- NC/SiO2-Al2O3)
in a green and sustainable manner. The Ru-NC/SiO2-Al2O3 nanocatalyst is prepared by simple
impregnation followed by the pyrolysis method. The Ru-NC/SiO2-Al2O3 nanocatalyst shows excellent
activity for the hydrogenation of lignin-derived functional phenols, including o, p, m-cresols, catechol, 4-
n-propylphenol, diphenyl ether, guaiacol, eugenol, and others. In addition, hemicelluloses- derived
furfural and furfuryl alcohol were also transformed into their hydrogenated products. Further, this
transformation is also used for the hydrogenation of alkali lignin bio-oil, which is selectively transformed
into corresponding cyclohexanol derivatives. HR-TEM, XPS, powder-XRD, N2 adsorption-desorption,
and NH3-TPD analyses were used to examine the physicochemical properties of both fresh and spent Ru-
NC/SiO2-Al2O3 nanocatalysts. Furthermore, the Ru-NC/SiO2-Al2O3 nanocatalyst is recycled and reused
four times with no loss of any catalytic activity[1].
References
1. B. Singh, R. Kumar, N. Singh, D. Tripathi, K. Natte, A. Narani, Hydrogenation of Lignin-Derived Feedstocks and
Bio- oil using Active and Stable Ruthenium Catalyst, Catalysis Today, (2022).
114
P-040
Dehydration of bio-derived lactic acid to acrylic acid over defect-rich molybdenum

phosphosulfide
Neha Dhiman, Dr. Bipul Sarkar *

Catalytic Depolymerization Area, CSIR-Indian Institute of Petroleum, (CSIR-IIP)Dehradun, 248005, Uttarakhand,
India.
E-mail: [email protected] [email protected]
Abstract
CSIR-Indian Institute of Petroleum already has a state-of-the-art biochemical process to manufacture
Lactic acid from natural sugar. Lactic acid (LA) as a green solvent increases the adaptability and diversity
of bio-based green solvents and provides a valuable tool for creating synthetic systems that are
environmentally friendly.1 Therefore, raw lactic acid is a potential feedstock for acrylic acid via catalytic
dehydration. Using appropriate feedstock (biomass) for making fine chemicals2 is crucial because it is a
natural resource. By 2025, the demand for acrylic acid is projected to increase from 5,750.0 kilotons in
2015 to 9,720.0 kilotons. Bio-derived lactic acid will undoubtedly be essential in the future. The Mo2P/S
catalyst was used as a dehydrating catalyst to convert bio-derived lactic acid (LA) into acrylic acid (AA).
With a 99.5 % conversion rate and a 77.5 % selectivity for acrylic acid (AA), the molybdenum
phosphosulfide Mo2P/S catalyst proved very active and stable for the vapor- phase dehydrating process
of bio-derived lactic acid (LA) to acrylic acid (AA). The catalyst was very capable of converting the lactic
acid produced in-house to acrylic acid (AA). IR analysis reveals that the medium acid site, which helps
and is responsible for the construction of acrylic acid.
References
1. Stalpaert, M.; Peeters, N.; De Vos, D., Conversion of lactide to acrylic acid by a phosphonium ionic liquid
and acid cocatalyst. Catalysis Science & Technology 2018, 8 (5), 1468-1474.
2. Ghantani, V. C.; Lomate, S. T.; Dongare, M. K.; Umbarkar, S. B., Catalytic dehydration of lactic acid to
acrylic acid using calcium hydroxyapatite catalysts. Green chemistry 2013, 15 (5), 1211-1217.
115
P-041
Palladium Impregnated activated carbon fiber cloth from spent Pd/C catalyst for low
temperature CO oxidation
Ansari Palliyarayila, Nallaperumal Shunmuga Kumarb, Sanchita Silb*

a
Inorganic and Physical Chemistry Laboratory, CSIR-Central Leather Research Institute, Chennai, India
b
Department of Environmental Protection, Defence Bioengineering and Electromedical Laboratory, DRDO,
Bangalore, India.
Abstract
The quality of air can vary day to day due to the exponential growth of industries and automobiles. In this
work, an activated carbon fiber cloth (ACFC) based palladium (Pd) catalyst is prepared for the oxidative
removal of carbon monoxide (CO) using recovered Pd as a Pd source1. Activated carbon supported
catalyst has been successfully used in air cleaning filters, especially in confined environments. Pd as a
catalyst, is present in the range of 4-8% by weight of the total carbon2. Once the filter gets saturated, it is
usually replaced with fresh ones. However, this is a cost intensive process and recovery of Pd is highly
desirable so that it can be recycled and used for subsequent impregnation. Additionally, metal containing
wastes like spent filter cannot be disposed directly due to environmental concerns. ACFC generally
possess high specific surface area, predominant micro porous texture, high rate of mass transfer and large
adsorption capacities compared to conventional activated carbons3,4. Having considered these, textile-
based Pd catalysts were prepared by incipient wetness impregnation method followed by liquid media
assisted reduction5 of metal ions. The prepared catalyst was then characterized and tested its efficiency
for removing CO in the presence and absence of moisture.
References
1. P Ansari, K. K. Jayakumar, S. Sil, N. S. Kumar, A facile green tea assisted synthesis of palladium
nanoparticles using recovered palladium from spent palladium impregnated carbon, Johnson Matthey
Technology Review, 62(2018), 60-73.
2. L. Yin, J. Liebscher, Carbon− carbon coupling reactions catalyzed by heterogeneous palladium catalysts,
Chemical Reviews, 107 (2007) 133-173.
3. H. Son, S. Sivakumar, M.J. Rood, B.J. Kim, Electrothermal adsorption and desorption of volatile organic
compounds on activated carbon fiber cloth, Journal of hazardous materials, 301 (2016) 27-34.
4. H. Fallou, N. Cimetiere, S. Giraudet, D. Wolbert, P. Le Cloirec, Adsorption of pharmaceuticals onto activated
carbon fiber cloths–modeling and extrapolation of adsorption isotherms at very low concentrations, Journal
of environmental management, 166 (2016) 544-555.
5. B. Singh, A. Saxena, A.K. Srivastava, R. Vijayaraghavan, Impregnated carbon based catalyst for protection
against carbon monoxide gas, Applied Catalysis B: Environmental, 88 (2009) 257-262.
116
P-042
Efficient activation of CO2 over Ce-MOF-derived CeO2 for the synthesis of cyclic
urea, urethane, and carbamate
Ganesh Sunil More and Rajendra Srivastava*

Catalysis Research Laboratory, Department of Chemistry, Indian Institute of Technology Ropar, Rupnagar,
Punjab-140001, India
Email; [email protected], [email protected]
Abstract
The synthesis of various commodity chemicals like cyclic urea, urethanes, and carbamates via effective
utilization of CO2 has proved to be highly advantageous.1 Production of the chemicals (cyclic urea,
urethanes, and carbamates) from CO2 requires a complicated catalyst design and stringent reaction
conditions.2 A simple catalyst possessing suitable sites that can effectively adsorb and activate CO2 is
required to synthesize these valuable chemicals. This study demonstrates the synthesis of a highly
efficient catalyst, Ce-BTC MOF- derived CeO2, for CO2 activation.3 Ce-BTC-MOF is synthesized and
calcined to obtain Ce-BTC MOF- derived CeO2. The presence of various facets and the oxygen vacancies
are useful for the CO2 activation, which was confirmed using Raman spectroscopy, X-ray photoelectron
spectroscopy (XPS), and high- resolution transmission electron microscopy (HRTEM). The calcination
of Ce-BTC MOF at 573 K generates a CeO2 catalyst, which offers an excellent activity for producing
these chemicals. The developed eco-friendly and robust catalyst will be of significant scientific interest
because it can be industrially deployed in producing these commercial synthetic intermediates.
References
1. B. M. Bhanage, S. Fujita, Y. Ikushima and M. Arai, Chem. Sci., 2019, 10, 6594.
2. H. Babad and A. G. Zeiler, Chem Rev., 1973, 73, 75-91.
3. G. S. More and R. Srivastava, Ind. Eng. Chem. Res. 2021, 60, 12492−12504.
117
P-043
“Dual Atom Doped C,N matrix studied for ORR catalysis
K.M. Athira, B. Gowri, D. Rajesh, Aiswarya KEsh, A.K. Sahu and G.V.M. Kiruthika*
CSIR-CECRI Chennai Centre, CSIR Madras Complex, Taramani, Chennai- 113 E-mail:
Abstract
Next-generation green energy utilization focuses on fuel cell systems which leave zero emissions.
PEMFC plays an important role for use of renewable energy systems. Energy efficient ORR catalysis is
the key for cost effective PEMFC commercialization. Non-Pt/Low Pt based ORR catalysis has been the
focus of intense research activity (1-5). The present work will discuss on the synthesis and ORR catalytic
studies on dual atom doped N incorporated Carbon matrix. In the efforts for minimizing Pt for ORR
catalysis, less costly elements such as transition metals of the type Cu and Ni, having a similar d electron
configuration and variable valence properties have been chosen. Preparation parameters for Cu and Ni
dual atom doping on N,C matrix have been optimized using a organic framework complex assisted
synthesis of the catalyst system. Excellent morphology of single atom incorporation on the matrix could
be achieved. Initial ORR studies depict better catalysis properties with E1/2 values of about 0.8V. Detailed
studies will be presented.
References
1. Sumanta Kumar Das, Aiswarya Kesh, Srinu Akula, Subhendu K. Panda, G. V. M. Kiruthika and Akhila
Kumar Sahu, ACS Appl. Energy Mater.(accepted), https://doi.org/10.1021/acsaem.2c01957
2. Wang, J., Huang, Z., Liu, W., Chang, C., Tang, H., Li, Z., ... & Li, Y. (2017), Journal of the American
Chemical Society, 139(48), 17281-17284.
3. Lu, S.; Pan, J.; Huang, A.; Zhuang, L.; Lu, J. P. Natl. Acad. Sci. 2008, 105, 20611-20614.
4. Gu, S.; Sheng, W.; Cai, R.; Alia, S. M.; Song, S.; Jensen, K. O.; Yan, Y. Chem. Commun. 2013, 49, 131-133.
5. Miller, H. A.; Lavacchi, A.; Vizza, F.; Marelli, M.; Benedetto, F. D.; D'Acapito, F.; Paska, Y.; Page, M.;
Dekel, D. R. Angew. Chem. Int. Ed. 2016, 128, 6108-6111.
118
P-044
Tailoring photoactivity of polymeric carbon nitride via donor-π-acceptor network
Toshali Bhoyar, Suresh S. Umare*

Materials and Catalysis Laboratory, Department of Chemistry, Visvesvaraya National Institute of
Technology (VNIT), South Ambazari Road, Nagpur 440010, India.
Abstract
Polymeric carbon nitride (PCN) is a promising metal-free photocatalyst for solar driven applications due
to its exceptional physicochemical properties.1 However, its photocatalytic performance is hindered by
several limitations, such as, high recombination of photoexcitons, sluggish reaction kinetics, moderate
surface area, and poor visible-light absorption.2 Molecular doping of PCN has been proven as an efficient
approach to adjust its structural and optical band structure in order to achieve high photocatalytic
efficiency.3 Herein, we demonstrate molecular doping of PCN with p-conjugative 2,3-diaminopyridine
(DAP) moiety.4 The thermal copolymerization process results in the formation of donor-p-acceptor (D-
π-A) structure via intramolecular charge transfer (ICT) from donor PCN to acceptor pyridine ring of DAP
owing to its high electron attraction ability thereby activating n→π* electronic transition. The
optoelectronic characteristics revealed enhanced separation of photoexcitons, extended visible light
response, and high surface area for DAP-doped PCN (DAPCN) catalyst. As a result, the DAPCN catalyst
demonstrated a 4.5 times higher hydrogen production activity than pristine PCN. The hydrogen
production activity demonstrated here outperforms several state-of-art catalysts and sheds light on the
effective production of PCN-based D-π-A networks using conjugated heterocyclic compounds.
References
1. Wang, Y.; Phua, S. Z. F.; Dong, G.; Liu, X.; He, B.; Zhai, Q.; Li, Y.; Zheng, C.; Quan, H.; Li, Z.; Zhao, Y.,
Structure Tuning of Polymeric Carbon Nitride for Solar Energy Conversion: From Nano to Molecular Scale.
Chem 2019, 5 (11), 2775-2813.
2. Cao, S.; Low, J.; Yu, J.; Jaroniec, M., Polymeric Photocatalysts Based on Graphitic Carbon Nitride.
3. Advanced Materials 2015, 27 (13), 2150-2176.
4. Zheng, Y.; Lin, L.; Wang, B.; Wang, X., Graphitic Carbon Nitride Polymers toward Sustainable Photoredox
Catalysis. Angewandte Chemie International Edition 2015, 54 (44), 12868-12884.
5. Bhoyar, T.; Kim, D. J.; Abraham, B. M.; Tonda, S.; Manwar, N. R.; Vidyasagar, D.; Umare, S. S., Tailoring
photoactivity of polymeric carbon nitride via donor-π-acceptor network. Applied Catalysis B: Environmental
2022, 310, 121347.
119
P-045
Using plasmon generated hot holes as traps for breaking C=C bonds at room
temperature
Swathi Swaminathan, Jitendra K Bera, Manabendra Chandra*

Department of Chemistry, Indian Institute of Technology, Kanpur, Uttar Pradesh-208016, India.
Abstract
Plasmon-mediated multiple charge carrier extraction offers promising potential for enhancing the
efficiency of photocatalysis reactions. Substantial research has been carried out on the hot electron-
mediated process;[1,2] however, the equally significant hot hole-mediated process is underexplored,
primarily owing to the shorter lifetimes of hot holes. This work demonstrates the extraction of multiple
hot holes by visible light excitation of spherical gold nanoparticles and their use in the olefin oxidation
to form aldehydes/ketones. We capture the reaction products primarily using GC-MS and NMR
spectroscopy. The experimental evidence indicate that charge carrier extraction is highly efficient at
interband excitation, and the multiple charge carrier extraction becomes significant after a threshold light
intensity, which considerably boosts the product's selectivity. A comprehensive analysis of the reaction
mechanism reveals that the alkene oxidation process involves two key elementary steps: a binding step
and a cyclic oxometallate transition state as the rate-determining step. The plasmon- mediated hot hole
extraction relies solely on the light-harvesting ability of plasmonic nanoparticles, without requiring
additional hole transport media. This extensive study enhances our understanding of plasmon-enhanced
photocatalysis and provides insights into the rational design of plasmonic systems for the extraction of
multiple charge carriers in plasmon photocatalysis.
References
1. P. Christopher, H. Xin, A. Marimuthu, S. Linic, Nat. Mater. 2012, 11, 1044–1050.
2. Y. Kim, J. G. Smith, P. K. Jain, Nat. Chem. 2018, 10, 763.
120
P-046
Amine regeneration over metal oxide catalysts for improved post-combustion CO2
capture
Makarand Patil, Hitesh Rawate, Urvashi Sarode, Prakash Vaidya*

Department of Chemical Engineering, Institute of Chemical Technology, Matunga, Mumbai E-mail:
[email protected], [email protected], [email protected],
[email protected]
Abstract
Post-combustion CO2 capture will be more attractive if the regeneration energy constraint of amine- based
solvents is lowered. Catalyst-aided regeneration of amines improves CO2 desorption, thereby minimizing
the regeneration costs. Metal oxides are candidate catalysts for the regeneration of CO2- laden amine
solutions.1-4 In the present work, ZrO2, CuO, MgO and Al2O3 were applied for regenerating CO2-loaded
aqueous solutions of monoethanolamine (MEA), 2-amino-2-methyl-1- propanol (AMP) and piperazine
(PZ). Trials were performed in batch mode in a glass apparatus at T=363 K. In general, the efficacy of
metal oxides decreased in the order Al2O3>ZrO2>CuO>MgO. The influence of sulfuration of ZrO2 on the
regeneration process was studied and it was found that the CO2 desorption rates improved upon
impregnation
4 2
of ZrO2 with SO42-. Further,
2 3
the performance of SO 2-/ZrO was comparable to that of
Al O . For instance, the extent of desorption for both catalysts at T=363 K was 48%. On the contrary,
desorption was just 31% when no catalyst was applied. Catalyst
SO4 2-/ZrO2 was comprehensively characterized using SEM, XRD, FTIR and nitrogen adsorption-
desorption techniques. Catalysts were also used for desorbing CO2 from AMP/PZ mixtures. It was found
that the desorption process of AMP is slowed by the addition of PZ. In this way, the potential of catalyst-
aided amine regeneration for improved CO2 capture was established.
References
1. U. H. Bhatti, S. Nam, S. Park, and I. H. Baek, ACS Sustain. Chem. Eng., 2018, 6, 12079–12087
2. X. Zhang, X. Zhang, H. Liu, W. Li, M. Xiao, H. Gao, and Z. Liang, Appl. Energy, 2017, 202, 673–684
3. U. H. Bhatti, A. Ienco, M. Peruzzini, and F. Barzagli, ACS Sustain. Chem. Eng., 2021, 9, 15419–15426
4. U. H. Bhatti, A. K. Shah, J. N. Kim, J. K. You, S. H. Choi, D. H. Lim, S. Nam, Y. H. Park, and I. H. Baek, ACS Sustain.
Chem. Eng., 2017, 5, 5862–5868
121
P-047
Green hydrogen production from CO2-sorption enhanced steam reforming of

biogas over Ni-based hybrid material with CaO as a sorbent
Akash M. Chandole, Prakash D. Vaidya*

Department of Chemical Engineering, Institute of Chemical Technology, Matunga, Mumbai.
E-mail: [email protected]; [email protected]
Abstract
A potential method for improving hydrogen (H2) production from biogas is the CO2-sorption enhanced
steam reforming process (or SESRP), which combines the catalytic steam reforming reaction with
simultaneous CO2 removal by adsorption in a single step.1-3 Biogas is an interesting alternative resource
for H2 production. In the present work, H2 production from simulated biogas mixture (60%CH4 +
40%CO2) over Nickel-based hybrid material containing CaO as a sorbent (Ni-CaO/Al2O3 or HM) was
investigated in a fixed-bed reactor. The HM was characterized using XRD, SEM-EDX and BET surface
area analysis techniques. The effects of temperature (650-850 oC), steam/CH4 molar ratio (1.5-7.5) and
gas hourly space velocity (GHSV, 800-2400 mL CH4 gcat-1 h-1) on the efficacy of HM were studied. The
cyclic stability and CO 2 adsorption capacity of HM were also investigated. H2-rich product gas (H2>76
mol%) was obtained. CH4 conversion was 92%. Higher steam/CH4 ratios favored the SESR process,
whereas higher space velocities decreased H2 yield and purity. The HM was stable for 13 reaction-
regeneration cycles and showed an adsorption capacity of 4.66 mol of CO2/kg sorbent.
Keywords: Biogas; green hydrogen; hybrid material; sorption-enhanced reforming
References
1. R. García, M.V. Gil, F. Rubiera, D. Chen, C. Pevida, Energy, 2021, 218, 119491
2. K. D. Dewoolkar, P. D. Vaidya, Energy Fuels, 2015, 29, 3870-3878
3. J. Phromprasit, J. Powell, S. Wongsakulphasatch, W. Kiatkittipong, P. Bumroongsakulsawat, S. Assabumrungrat,
Chemical Engineering Journal, 2017, 313, 1415–1425
122
P-048
Cellulase immobilization on magnetically separable graphene oxide: Enhanced

activity and stability with high glucose yield
Shaifali Bhardwaj, Anil Kumar Sinha*

Bio Fuels Division (BFD), CSIR-Indian Institute of Petroleum (IIP), Dehradun, India.
Abstract
Enzymatic biocatalysis has shifted the industrial paradigm, allowing for a green economy with minimum
waste generation. Such transformations necessitate a highly specific and selective biocatalyst to carry out
bulk reactions. In this context, cellulases have the potential to hydrolyze cellulose into fermentable
sugars, which can be further valorized into various value-added chemicals1. Despite having numerous
uses in both industries and medicine, cellulase has poor enzyme stability in various media and
temperatures2. Furthermore, cellulase is readily soluble in water and is not easy to recover and reuse,
making the process less desirable for industrial use. Cellulase immobilization on insoluble support solves
the problem of reusability and improves biocatalytic activity and stability. In this work, we have
synthesized magnetic graphene oxide (FeGO) as support for cellulase immobilization, characterized by
XRD, Raman spectroscopy, Fe-Sem, and HR-TEM. The magnetic property overcomes the problem of
separation from the reaction mixture. The immobilized enzyme shows higher temperature and pH
tolerance than the free enzyme. The high surface area of FeGO provides a high immobilization yield
(>250 mg.g-1). Under optimized conditions,
>85% conversion was obtained with 780 mg glucose yield from 1g cellulose. The immobilized enzyme
showed good stability up to six hydrolysis cycles.
References
1. Li, Y.; Wang, X.-Y.; Jiang, X.-P.; Ye, J.-J.; Zhang, Y.-W.; Zhang, X.-Y., Fabrication of graphene oxide decorated with
Fe3O4@ SiO2 for immobilization of cellulase.Journal of Nanoparticle Research 2015,17 (1), 1-12
2. Gokhale, A. A.; Lu, J.; Lee, I., Immobilization of cellulase on magnetoresponsive graphene nano-supports.Journal
of Molecular Catalysis B: Enzymatic 2013,90, 76-86.
123
P-049
Synergistic catalytic activity of core-shell Pd@UiO-66(Hf) MOF catalyst for the

one-pot hydrogenation-esterification of furfural
Bhavana B. Kulkarni,a,b Kempanna S. Kanakikodi,a,b Sanjeev P. Maradura*
a
Materials Science & Catalysis Division, Poornaprajna Institute of Scientific Research (PPISR), Bidalur
Post, Devanahalli, Bengaluru-562164, Karnataka, India.
b
Graduate studies, Manipal Academy of Higher Education, Manipal -576104, Karnataka, India.
*Corresponding author
Abstract
The development of new strategies for cascade reactions that demand composite catalysts with
multifunctionality is imperative to advance bio-oil upgradation and its combustion properties. This work
reports a model bio-oil-upgrading method of one-pot hydrogenation-esterification (OHE) of furfural with
acetic acid over a bifunctional Pd@UiO-66(Hf) core-shell material, a greener approach wherein the two
reactants exploited are biomass derived chemicals1-2. Additionally, the catalytic activity of Pd/UiO-
66(Hf) and Pd@UiO-66(Zr) materials were evaluated in the OHE reaction for comparison. Various
properties of the screened catalysts were elucidated by different characterization techniques. The
Pd@UiO-66(Hf) hybrid material demonstrated high catalytic performance in the OHE reaction of furfural
with acetic acid. The superior activity of Pd@UiO-66(Hf) over the other MOF- based hybrid materials is
correlated with its surface acidic properties and the synergistic effect of Pd NPs with the acidic sites (on
SBU of MOF). The excellent performance exhibited by Pd@UiO-66(Hf) in OHE of furfural with acetic
acid is superior to the reported catalysts. The present study offers new opportunities for the efficient
conversion of biomass-derived molecules into value-added products. This is the first-ever report on MOF-
based catalyst studied for the OHE reaction of furfural with acetic acid for the selective synthesis of
furfuryl acetate.
References
1. W. Li, Y. Zhu, Y. Lu, Q. Liu, S. Guan, H.-m. Chang, H. Jameel and L. Ma, Bioresource technology, 2017,
245, 258-265.
2. Z. Huo, Y. Fang, G. Yao, X. Zeng, D. Ren and F. Jin, Journal of Energy Chemistry, 2015, 24, 207-212.
124
P-050
Shaping of MIL-101 metal-organic framework for CH4 /N2 and CO2 /CH4
separation
Narendra Singh 1 , Suman Dalakoti 1 , Honore N. Wamba 1,2 , Swapnil Divekar 1 , SoumenDasgupta 1 and
Aarti 1
1
Separation Process Division, CSIR-Indian Institute of Petroleum, Dehradun, 248005, India,
2
Department of Chemistry, Faculty of science, University of Dschang, Dschang, Cameroon
Email- [email protected], [email protected]
Abstract:
Methane is an abundant and carbon intensive energy source. With impressive reserves, unconventional
natural gas sources such as landfill gas, shale gas, coal-bed methane, and biogas have drawn much
attention. Carbon dioxide and nitrogen are common contaminants of unconventional natural gas (NG)
sources which reduces the natural gas heating value 1 . Removing N 2 and CO 2 from unconventional
natural gas sources is essential for their utilization. Metal-Organic Frameworks (MOFs) have emerged
as potential adsorbents for adsorptive gas separation. Shaping MOFs into beads or extrudates is a
crucial step for their dynamic gas adsorption studies. In this work, MIL-101 MOF beads have been
synthesized using calcium alginate as the binder 2 . The synthesized MIL-101 MOF 3 powder &
beads were characterized using N 2 sorption isotherm at 77K, XRD, FTIR, TGA, and SEM. The
adsorption equilibrium isotherm for CH 4 , CO 2 , and N 2 was measured at 298 and 313K up to 1 bar
pressure. The dual site Langmuir model was used to fit the CH 4 , CO 2 , and N 2 experimental equilibrium
isotherm data to determine the parameters for CH 4 /N 2 selectivity calculations. Ideal Adsorbed Solution
Theory (IAST) was used for predicting CH 4 /N 2 and CO 2 /CH 4 selectivity. The CH 4 /N 2 selectivity
of MIL-101 beads was 26% higher than commercial zeolite (13X and 5A).
References
1. Sun T, Hu J, Ren X, Wang S. Experimental evaluation of the adsorption, diffusion, and separation of CH4/N2
and CH4/CO2 mixtures on Al-BDC MOF. Separation Science and Technology. 2015 Apr 13;50(6):874-85.
2. Dasgupta S, Divekar S, Spjelkavik AI, Didriksen T, Nanoti A, Blom R. Adsorption properties and
performance of CPO-27-Ni/alginate spheres during multicycle pressure-vacuum-swing adsorption (PVSA)
CO2 capture in the presence of moisture. Chemical Engineering Science. 2015 Dec 1;137:525-31.
3. Férey G, Mellot-Draznieks C, Serre C, Millange F, Dutour J, Surblé S, Margiolaki I. A chromium
terephthalate-based solid with unusually large pore volumes and surface area. Science. 2005 Sep
23;309(5743):2040-2.
125
P-051
Role of carbon nitride metastable states in influencing the CO2 reduction under
solar irradiation: Kinetics & theoretical prospects
Shreya Singha, Rajat Puniaa, Kamal Kishore Panta, Pratim Biswasb
a
Indian Institute of Technology Delhi, New Delhi-110016, India
b
Univ of Miami: Department of Chemical, Environmental and Materials Engineering, USA
Abstract
Artificial photosynthesis to produce fuels from CO2 presents a promising sustainable solution to reduce
rising CO2 levels and energy demands.1,2 Carbon nitride is a low-cost, metal-free photocatalyst that
possess high CO2 reduction potential.3,4 However, it suffers from challenges such as fast recombination
of the photogenerated electron-hole pairs and low electronic conductivity.3,5 Herein, we investigated into
the effect of synthesis temperature on the variation in the carbon-nitride structure and in turn its
photocatalytic activity. The physical, optical, and photocatalytic properties of the carbon nitride structures
synthesized by thermal polycondensation of melamine at temperatures ranging from 450-700 0C were
tested. Synthesis at 450 0C resulted in incomplete polycondensation, while melamine decompose to
graphite and N at 700 0C. We observed different metastable state structures of carbon nitride with varying
temperature: for example, undulated, large-sized melon sheets at 500 0C and flat, small-sized & compact
melon sheets at 650 0C. XRD, XPS and UV-DRS characterization experiments revealed that with
temperature increase from 500-650 0C, inter-planar coupling between carbon nitride sheets increased and
optical bandgap decreased. Although the material synthesized at higher temperatures possessed low
bandgap and mesoporous structure with BET surface area of 68 m2gcat-1 which is 17 times higher
compared to that synthesized at 500 0C, still possess the lowest photoactivity. Theoretical investigations
were performed to unravel the vaired reactivity trends in different structures formed at different
temperatures. The CO2 activation ability of these states were found to be the deterministic parameter for
the photocatalytic activity of synthesized catalysts for CO2 reduction in presence of water as measured in
a gas-phase bulk reactor. The photo-reaction kinetics over a period of 48 hours was successfully modelled
using Langmuir-Hinshelwood. The model coefficients were estimated by fitting with experimental data
and finally, the kinetic parameters were related to the physical properties of the catalyst and observed
effects were investigated using ab-initio calculations. This study highlights the important role of thermal
treatment on the structure and morphology of the carbon nitride structure in modulating the activity and
kinetics of CO2 photoreduction.
References
1. Li et. al., Chem. Rev. 2019, 119, 6, 3962–4179
2. Singh et. al., ACS Appl. Nano Mater. 2021, 4, 9, 8644–8667
3. Lotsch et. al., Adv. Energy. Mater. 2021, 12, 4, 2101078
4. Wang et. al., Nat. Mater. 2009, 8, 76.
5. Vinu et. al., Adv. Energy. Mater. 2020, 32, 18, 1904635
126
P-052
Controlled uptake of an iridium complex inside engineered apo- ferritin nanocages:

Study of structure and catalysis
Mohd Taher,[a] Basudev Maity,[b] Taiki Nakane,[b] Satoshi Abe,[b] Takafumi Ueno,[b] Shyamalava
Mazumdar[a]*
a
Department of Chemical Sciences, Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba,
Mumbai 400005, India
b
School of Life science and Technology, Tokyo Institute of Technology, Nagatsuta-cho 4259-B55,
Midori- ku, Yokohama 226-8501, Japan.
Abstract
The effect of the mutation at the core of the ferritin nanocage (apo-rHLFr) on the uptake of IrCp* has
been investigated by structural and spectroscopic methods. Site-specific mutations of two polar residues
viz., Asp38 and Arg52 were investigated. The uptake of IrCp* was increased by about 1.5- fold on
mutation of Arg52 by His compared to the wild-type variant, while mutation of Asp38 by His had no
effect on the uptake. All the variants of the Ir-embedded ferritin cages remained as stable as the wild type
analogue. These hybrid bio-nanocages of ferritin were found to efficiently catalyze transfer hydrogenation
of various substituted acetophenones forming corresponding chiral alcohols with up to 88% conversion
and 70% enantioselectivity. Electron-withdrawing substituent on the reactant enhanced the TOF of the
reaction. Molecular docking analyses suggested that the substrate binds in different orientations at the
active site in different mutants of the nanocage.
References
1. M. Taher, B. Maity, T. Nakane, S. Abe, T. Ueno, S. Mazumdar, Angew. Chem. Int. Ed. 2022, 61, e202116623
127
P-053
Strong coupling guided interfacial hole transfer dynamics between CsPbBr3

perovskite NCs and functionalized ferrocene derivatives
Siddharth Singh, Diksha Mittal, Vinithra Gurunarayanan, Ankita Sahu, Ramesh Ramapanicker, and
Vishal Govind Rao*
Department of Chemistry, Indian Institute of Technology (IIT), Kanpur, India.
Abstract
Cesium lead halide (CsPbX3) perovskites, which have established themselves in solar cell applications,
are now also gaining interest in the field of photocatalysis. With timely charge carrier extraction being a
fundamental challenge in photocatalysis, incorporating ferrocene (Fc)-based functionalities can offer
remarkable charge extraction efficiency in lead halide perovskites, given a recent 25% power conversion
efficiency in a solar cell developed using a similar strategy. Here, to investigate the hole transfer dynamics
in CsPbBr3 perovskite nanocrystals (NCs) for photocatalytic applications, we have covalently coupled Fc
with amino acid residues to build three molecular redox relays varying in the ratio of -COOH to Fc units.
The polar carboxylic acid (-COOH) headgroup, together with the Fc in the hydrophobic tail, gave the
molecule a surfactant-type character that allowed it to bind to the CsPbBr3 NCs surface in colloidal
solution. Intriguingly, in all three cases, the increased binding resulted in the establishment of a long-
lived charge- separated state, wherein a dipole was established between the electrons in CsPbBr3 and the
holes in the surface-bound Fc derivatives, evidenced by a long-lived sustained bleach in transient
absorption spectra. We believe that a proper acknowledgment and assessment of molecules and their
derivatives towards interfacial charge transfer, surface interactions, etc., is crucial to overcoming the
present constraints of charge extraction, accessibility of active surface sites, and instability in the polar
medium.
References
1. Z. Li, B. Li, X. Wu, S. A. Sheppard, S. Zhang, D. Gao, N. J. Long, Z. Zhu, Science 2022, 376, 416–420.
2. V. Gurunarayanan, R. Ramapanicker, J. Pept. Sci. 2021, 27, e3332.
3. S. M. Kobosko, J. T. DuBose, P. V. Kamat, ACS Energy Lett. 2020, 5, 221–223.
4. J. T. DuBose, P. V. Kamat, J. Phys. Chem. Lett. 2019, 10, 6074–6080.
5. N. Mondal, A. De, S. Das, S. Paul, A. Samanta, Nanoscale 2019, 11, 9796–9818.
128
P-054
The emergence of aqueous phase perovskite photocatalysis

Monika Ahlawat, Vishal Govind Rao*
Department of Chemistry, Indian Institute of Technology Kanpur (IIT Kanpur), Uttar Pradesh, India.
Abstract
In recent years, the surge in photovoltaic performance of lead halide perovskites (LHP) has uplifted the
materials research for light harvesting applications.1 However, the major concerns to be addressed are the
stability of LHP at ambient conditions and the solubility of their constituent ions in an aqueous solution.2-
4
In this contribution, we have demonstrated a successful phase transfer of CsPbBr3 nanocrystals (NCs)
from toluene to water in a post-synthetic ligand exchange treatment using lysine and glutamic acid-
derived bolaamphiphilic, NKE-12 ligand. We observed enhanced surface passivation and two-week-long
stability of NKE-12 modified CsPbBr3 NCs in water, which can be attributed to the synergistic effect of
the strong binding interaction and increased hydrophilicity of the NCs-ligand system via ionic terminal
ends of NKE-12. Notably, the surface modification with NKE- 12 did not impede the catalytic attributes
of CsPbBr3 NCs. To understand the catalytic activity of NKE-12 modified CsPbBr3, we studied
photogenerated hot hole transfer dynamics to a probe molecule 6,7-dihydroxy coumarin (DHC) in an
aqueous medium using time-dependent photoluminescence and transient absorption spectroscopy. The
insights into the strong binding interactions and interfacial charge transfer between CsPbBr 3 NCs and
DHC unraveled the way to perovskite photocatalysis in an aqueous medium.
References
1. Green, M. A.; Ho-Baillie, A.; Snaith, H. J. The Emergence of Perovskite Solar Cells. Nature Photon 2014, 8 (7), 506–
514
2. De Roo, J.; Ibáñez, M.; Geiregat, P.; Nedelcu, G.; Walravens, W.; Maes, J.; Martins, J. C.; Van Driessche, I.; Kovalenko,
M. V.; Hens, Z. Highly Dynamic Ligand Binding and Light Absorption Coefficient of Cesium Lead Bromide Perovskite
Nanocrystals. ACS Nano 2016, 10 (2), 2071–2081
3. Kipkorir, A.; DuBose, J.; Cho, J.; V. Kamat, P. CsPbBr 3 –CdS Heterostructure: Stabilizing Perovskite Nanocrystals
for Photocatalysis. Chemical Science 2021, 12 (44), 14815–14825
4. Mondal, N.; De, A.; Das, S.; Paul, S.; Samanta, A. Ultrafast Carrier Dynamics of Metal Halide Perovskite Nanocrystals
and Perovskite-Composites. Nanoscale 2019, 11 (20), 9796–9818
129
P-055
Probing the hydrogen evolution efficiency of low temperature synthesized zero

valent iron nanoparticles in aqueous systems
Nibin K Mathew, Rohith Vinod K, Theertharaman G, S. Balakumar*
National Centre for Nanoscience and Nanotechnology, University of Madras, Guindy Campus, Chennai
-25.
Abstract
Zero valent iron nanoparticles were nucleated via chemical reduction technique at low temperature
condition and room temperature condition. Zero valent iron nanoparticles nucleated under low
temperature condition (ZLN) has passivation layer thickness in the range 3- 4nm and showed better
magnetic saturation value (145.32emu/g) than its room temperature counterpart (ZRT) with passivation
layer thickness in the range 6-7 nm. The spherical ZLN nanoparticles showcased a particle size
distribution profile in the range 10-120nm and inherited a surface area of 11.16 m2/g. X-ray Photoelectron
spectroscopic studies gave evidence to the formation of Zero valent iron nanoparticles. Zero valent iron
is known for its reactivity and produces hydrogen molecules when it corrodes. The hydrogen evolution
performance of ZLN and ZRT is evaluated in aqueous system.
References
1. Yu-Xi Huang, Jialiang Guo, Chunyang Zhang, Zhiqiang Hu, Hydrogen production from the dissolution of
nano zero valent iron and its effect on anaerobic digestion, Water Research, Volume 88,2016, 475-480,
https://doi.org/10.1016/j.watres.2015.10.028.
2. Guang Yang, Jianlong Wang, Improving mechanisms of biohydrogen production from grass using zero-
valent iron nanoparticles, Bioresource Technology, Volume 266,2018, 413-
420, https://doi.org/10.1016/j.biortech.2018.07.004.
130
P-056
Understanding the formation of possible intermediate in methane

dehydroaromatization on Mo/ZSM-5 catalyst using density functional theory
Iqra Ahangar, M. Ali Haider1, and Kamal K. Pant
Department of Chemical Engineering, Indian Institute of Technology Delhi (IITD), New Delhi, India.
Abstract
Non-oxidative methane dehydroaromatization (MDA), is the direct route for methane conversion with a
high selectivity (>95%) towards aromatics particularly benzene. The active sites accountable for methane
conversion to aromatics (MTA) are either Mo oxycarbide or Mo carbide species anchored over HZSM-
5. Methane Dehydroaromatization (DHA) is suggested to proceed through a bifunctional mechanism
wherein, methane is first dehydrogenated to a C2HX hydrocarbon on the Mo carbide active sites of
catalyst, which then cyclize to form aromatics on Bronsted acid sites (BAS) of the zeolite support. The
primary product of initial C-C coupling step is ethane, which further dehydrogenates to form ethylene or
acetylene. However, ethylene or acetylene have been proposed as possible intermediates for this
mechanism. Therefore, to gain an insight into the possible benzene formation via oligomerization of
ethylene or acetylene, we have utilized first-principle density functional theory (DFT) calculations. The
stable molybdenum carbide clusters Mo2C6 (C: Mo ratio = 3:1) have been anchored over Al sites in the
zeolite framework to understand the C-H activation and C-C coupling reaction leading to form C2
intermediates (acetylene and ethylene). Results infer that ethylene intermediate may prefer to oligomerize
to benzene over BAS of the ZSM-5 catalyst, instead of undergoing dehydrogenation.
131
P-057
Microbial bio-templating of rice husk derived silica

Tharani Duraisamy, Ananthasubramanian Muthusamy*
Department of Biotechnology, PSG College of Technology, Tamil Nadu, India.
Abstract
Rice husk derived silica finds wide application from catalysis to phase-change materials and adsorbents.
The silica from rice husk exhibits amorphous nature with flaky morphology. Concerns with husk derived
silica is lack of tailor-made particles sans repetitive morphology and size. Unlike synthetic spherical nano-
particles, the flaky morphology challenges the handling and efficiency of silica nano-particles. The
current work focuses on the morphological modification of rice-husk derived silica employing microbes
as biotemplate. Evident morphological transformation with substantial increase in textural properties are
witnessed. The critical operating parameters like the growth medium and pre-treatment method adopted
play a major role in morphology development. The metabolically active microbes precipitated silica more
preferentially as compared to the dormant culture stock.
References
1. D. Oh, C. Ozgit-Akgun, E. Akca, L. E. Thompson, L. F. Tadesse, H. Kim, G. Demirci, R. D. Miller, H.
Maune, Sci. Rep., 2017, 7, 45919
2. M. H. Nia, R. Koshani, J. G. Munguia-Lopez, A. R. Kiasat, J. M. Kinsella and T. G. M. van de Ven, ACS
Appl. Bio Mater., 2021, 4, 5, 4201–4214
3. N. D. Courchesne, S. A. Steiner III, V. J. Cantú, P. T. Hammond, and A. M. Belcher , Chem. Mater., 2015,
27, 15, 5361– 5370
132
P-058
Effective photocatalytic sea water splitting

Rohit Ma and D Khushalani*
a
Materials Chemistry Group, DCS, Tata Institute of Fundamental Research, Mumbai, India
* [email protected]
The photocatalytic (PC) hydrogen production from water splitting is a promising route to fulfill the
current energy demand in an eco-friendly and sustainable manner. For photocatalysis to become
industrially viable, seawater should be used. This solvent owes its salinity due to various ions. To date,
there are contradicting reports in the literature on the influence of these ions on the PC splitting of water.
A variety of different neutral transition metal-oxide-based photocatalysts has been exploited. Although
they might be effective in splitting deionized water[1], however, thus far, there has been a lack of a well-
established route to effectively using any semi-conductor for seawater splitting. Presented here are the
details of our work where an intriguing, ionized, low-cost semiconductor has been successfully evaluated
for sea-water splitting. The structure consists of a modified carbon nitride such that it forms an ionized
organic polymer-based system.[2] A detailed study has been done using this salt-type semiconductor in
the presence of various ions (Na+, K+, Mg2+, Ca2+, Cl−, SO42-), and their role has been probed in
modulating the photocatalytic activity. Photoelectrochemical measurements have provided insight as to
how the presence of cations aids advantageously in forming an effective in-situ interface between
catalyst/co-catalyst for improved charge transfer. This improved interfacial charge transfer rationalizes
the 8-fold enhancement in the photocatalytic rate in the presence of simulated seawater compared to
deionized water and provides an impetus for using these ionized carbon nitride structures for sustainable
PC splitting of seawater.
References
1. Jining Zhang, Wenping Hu, Shuang Cao1, and Lingyu Piao Nano Research, 13(9) (2020) 2313–2322
2. Tanmay Banerjee, Filip Podjaski, Julia Kröger, Bishnu P. Biswal, and Bettina V. Lotsch. Nat. Rev. Mater., 6
(2020) 168–190.
133
P-059
Plasmonically driven photocatalytic regeneration of nicotinamide cofactor

Vanshika Jain and Pramod P. Pillai*
Department of Chemistry, Indian Institute of Science Education and Research (IISER) Pune, India.
Abstract
Boosting the kinetics of photocatalytic conversions is crucial in achieving the desired yield and selectivity
goals in photocatalysis. The making and breaking of high-energy chemical bonds with plasmonic
nanoparticles stand out because of their exceptionally large charge-carrier density and high molar
extinction coefficient.1-3 One important class of chemical transformation is the photocatalytic
regeneration of cofactors molecules, which are utilized in various biocatalytic transformations. In this
direction, our group demonstrated the sole photocatalytic activity of gold nanoparticles (AuNPs) in the
regeneration of nicotinamide cofactor (NADH) under visible-light irradiation.4 Precise control over the
NP surface chemistry helped regulate the catalyst-reactant interactions through electrostatics to enhance
the product yield. This generic approach of favorable catalyst-reactant interaction was extended to couple
an electron mediator to incorporate selectivity for the enzymatically active NADH. 4,5 With this system,
we investigated the role of light excitation on the hot charge carrier generation in plasmonic
nanomaterials. Anisotropic Au nanorods (AuNRs), possessing distinct plasmon bands, were chosen as
the photocatalyst which helped in the selective excitation of interband and intraband charge carriers.
Detailed wavelength-dependent experiments suggested the dominating role of interband excitation in the
photoregeneration of the NADH cofactor.5 Such advances in the fundamental understanding of plasmonic
photocatalysis will surely help in achieving the desired product selectivity with enhanced yield.
References
1. S. Linic, U. Aslam, C. Boerigter, M. Morabito, Nat. Mater. 2015, 14, 567-576.
2. E. Cortés, L.V. Besteiro, A. Alabastri, A. Baldi, G. Tagliabue, A. Demetriadou, P. Narang, ACS Nano 2020,
14, 16202– 16219.
4. S. Roy, V. Jain, R. K. Kashyap, A. Rao, P. P. Pillai, ACS Catal. 2020, 10, 5522– 5528.
5. V. Jain, R. B. Raj, I. N. Chakraborty, P. P. Pillai, Manuscript under preparation.
134
P-060
Direct oxidation of cyclohexane to adipic acid in air over Co3O4@ZrO2

nanostructured catalyst
Sonu Bhandari,1,2 and Rajaram Bal 1,2*
1
Light stock processing Division, CSIR-Indian Institute of Petroleum, Dehradun 248005, Uttarakhand,
India
2
Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India
Abstract
Despite the vast industrial importance of adipic acid (AA), developing sustainable and selective catalysts
for the oxidation of cyclohexane using air as an oxidant is a long-standing challenge for researchers [1-
4]. We have synthesized a Co3O4@ZrO2 nanostructured catalyst and found that it converts cyclohexane
to AA directly in air without adding any additional reagent. Under mild, environmentally friendly,
solvent-free conditions and without any initiators, the catalyst showed a conversion of ~40% with a
selectivity of ~43% towards adipic acid. NH3-TPD analysis confirmed the presence of acidic sites on
Co3O4@ZrO2. According to the findings, loading Co3O4 in the ZrO2 matrix generated a considerable
increase in acidity (1.08 mmol/g), and the trend of different loading of cobalt followed the order:
5.4Co3O4@ZrO2 > 3.2Co3O4@ZrO2 > 2.5Co3O4@ZrO2 > 1.6Co3O4@ZrO2. The catalyst was thoroughly
characterized by XRD, HR-TEM, SEM, H2-TPR, XPS, NH3-TPD, Pyridine- IR, ICP-AES, and EPR
spectroscopy. The recyclability and leaching test confirmed the true heterogeneous nature of the catalyst
as there was no significant loss of catalytic activity even after 5 cycles.
References
1. S. Bhandari, R. Khatun, M.K. Poddar, A.C. Kothari, R. Bal, Molecular Catalysis, 2022, 528, 112473
2. J.C.J. Bart, S. Cavallaro, Ind Eng Chem Res., 2015, 54, 1–46
3. K.C. Hwang, A. Sagadevan, One-pot room-temperature conversion of cyclohexane to adipic acid by ozone
and UV light, Science 1979, 346, 1495–1498
4. Castellan, J.C.J. Bart, S. Cavallaro, Catal Today, 1991, 9, 237–254
135
P-061
Host-guest charge transfer mediated C-C coupling inside water-soluble nanocages

Debojyoti Roy, Sunandita Paul, Jyotishman Dasgupta*
Abstract
Natural enzymes carry out organic transformations very efficiently via pre-organizing substrates inside
hydrophobic cavities to achieve selectivity and specificity during reaction turnover. Chemists have
mimicked the enzymes by creating supramolecular cavities which can serve as active sites for catalysis 1,2.
Recently it has been demonstrated that organic C-H activation reactions can be carried out inside a metal-
based cationic water-soluble nanocage with visible light activation3. Here we aim to form C-C bonds via
the donor-acceptor charge transfer (CT) paradigm. A Pd-based octahedral metal- organic supramolecular
cavity (Pd6L4 12+ where L= 2,4,6-Tri(4-pyridyl)-1,3,5-triazine) was used as host in this case to encapsulate
Phenylacetylene (PA) guest molecules . The host-guest CT complex was characterized by 1H NMR and
UV-Vis absorption spectra. Exciting at the CT band allow us the formation of C-C coupling products by
coupling of two PA radicals via sequential electron and proton transfer steps . Characterization of
photoproducts via GCMS and the mechanistic insights toward the formation of photoproducts had been
investigated by time-resolved measurements.
References
1. R. Breslow Acc. Chem. Res. 1995, 28, 146-153
2. T. Murase, H.Takezawa, M.Fujita, Chem. Commun., 2011, 47, 10960–10962
3. Das, I. Mandal, R. Venkatramani, J. Dasgupta, Sci. Adv. 2019; 5: eaav4806
136
P-062
Extracting the ‘Heat’ out of plasmonic nanostructures for chemical and physical
transformations
Radha Krishna Kashyap and Pramod P. Pillai*
Department of Chemistry and Centre for Energy Sciences, Indian Institute of Science Education and
Research (IISER), Dr. Homi Bhabha Road, Pashan, Pune – 411008, India.
Abstract
A plasmonic material is a hub of many intriguing processes that often compete with each other while
performing a function. One of the currently debated and prominent examples for this is the interference
of thermalization process in hot charge carrier driven chemical transformations.1,2 Ability to quantify and
utilize the surface temperature of thermoplasmonic nanostructures in a convenient way is essential to
successfully regulate its impact on various plasmonic processes.3 We have used the phenomenon of
thermochromism as a simple tool for the direct-quantification of practically usable
thermoplasmonic heat.4 Thermochromism studies reveal that the plasmons in gold nanorod arrays can
generate heat up to ~250 ℃ within ~15 minutes of irradiation, which was used to perform versatile
photothermal processes, such as polymerization, solar-vapor generation, Diels-Alder reaction, and
crystal-to-crystal transformation.4 In a separate project, we have showed that a thermally driven organic
reaction can be used as a tool to qualitatively compare the effect of nanoparticle parameters on the
chemical effectiveness of the plasmonic heat.5 The plasmonic heat from Au nanoparticles in the size
regime of 10-24 nm was most efficiently utilized for the organic transformation. The insights gained on
the utilization and quantification of thermoplasmonic properties will have far-reaching implications on
other plasmonically powered processes as well, such as photocatalysis and photothermal therapy.
References
1. L. Zhou, D. F. Swearer, C. Zhang, H. Robatjazi, H. Zhao, L. Henderson, L. Dong, P. Christopher, E. A. Carter,
P. Nordlander, N. J. Halas, Science 2018, 362, 69–72.
2. V. Jain, R. K. Kashyap, P. P. Pillai, Advanced Optical Materials 2022, 10, 2200463.
3. M. Quintanilla, L. M. Liz-Marzán, Nano Today 2018, 19, 126–145.
4. R. K. Kashyap, I. Dwivedi, S. Roy, S. Roy, A. Rao, C. Subramaniam, P. P. Pillai, Chem. Mater. 2022, 34,
7369– 7378.
5. R. K. Kashyap, M. J. Parammal, P. P. Pillai, ChemNanoMat 2022, 8, e202200252.
137
P-063
Decomposition of SO3 over CuFe2O4 supported on silica modified β–SiC in the

sulfur–iodine cycle for hydrogen production
Sachin Tomar, Sreedevi Upadhyayula*
Department of Chemical Engineering, Indian Institute of Technology Delhi, India
E– mail: [email protected], [email protected]
Abstract
Sulfur–Iodine1-3 (S–I) thermochemical water–splitting cycle is widely considered as one of the potential
mass production ways to produce hydrogen in an efficient, cost effective and environment friendly
manner4. CuFe2O4 was dispersed over silica modified or treated β–SiC and untreated β–SiC using wet
impregnation method5 for SO3 decomposition, the most endothermic reaction of the S–I cycle. Both of
the synthesized catalysts were characterised using cutting edge techniques including XRD, FT–IR, BET,
XPS, TEM, HR–TEM, FESEM– EDS, and elemental mapping. We assessed the activity of the prepared
catalysts in a fixed bed reactor at atmospheric pressure and temperatures ranging from 750 to 950 ˚C
while maintaining a WHSV of 8.1 h-1. A long term stability test (300 h) was performed at 850 ˚C and 8.1
h-1 WHSV. Due to better metal–support interaction, the CuFe2O4 catalyst supported on silica modified
β–SiC resulted in enhanced catalytic activity and stability.
References
1. X. Vitart, A. Le Duigou and P. Carles, Energy Convers. Manag., 2006, 47, 2740
2. M. Machida, A. Ikematsu, A. S. M. Nur and H. Yoshida, ACS Appl. Energy Mater., 2021, 4, 1696
3. S. Nigam and C. Majumder, J. Phys. Chem. C, 2012, 116, 25594
4. F. Safari and I. Dincer, Energy Convers. Manag., 2020, 205, 112182
5. S. Tomar, D. Gill, K. Kondamudi, S. Upadhyayula, S. Bhattacharya, Nanoscale, 2022,14, 6876
138
P-064
Development of artificial aggregate using carbide slag and fly ash through CO2
sequestration
Mohd Hanifa1,2, L.P. Singh*1,2, P.C Thapyal1,2, U. Sharma1
1
CSIR- Central Building Research Institute, Roorkee - 247667, India
2
Academy of Scientific and Innovative Research (AcSIR), Ghaziabad- 201002, India
Abstract
In the construction industry, CO2 sequestration through mineral carbonation provides a way to reduce the
carbon footprint of concrete. In this work, the artificial aggregates were developed by the accelerated
carbonation method. Artificial aggregates (Fig. 1a) were prepared by combining fly ash (75%) with lime
(25%) in the granulation chamber. The aggregates were carbonated in a stainless-steel chamber under
mild conditions (room temperature, pressure 2 bar, 99.9% CO2 concentration, relative humidity of 60%
and carbonation for 4 hours). The characteristics of raw materials, morphology, and mineralogical
properties were studied using XRF, FE- SEM, XRD and CO2 uptake was determined by
TGA inspection. The result indicated that micrographs of non-carbonated aggregate show pores and
spherical fly ash (Fig. 1b). Carbonated aggregates show a compact microstructure due to the calcium
carbonate formation within the pores (Fig. 1c). The XRD pattern of portlandite (2- theta=18.04° and
34.6°) was sharply decreased and increased in the calcite diffraction pattern (2- theta=29.4°) in carbonated
aggregate compared to non-carbonated aggregate (Fig. 1d) indicates that portlandite is converted into
calcium carbonate. In addition, TGA analysis showed that CO2 uptake by artificial aggregates was within
the range of 10– 12%. Polymorphs of calcium carbonate formed during carbonation depend on the pH,
temperature and Ca2+/CO 2- ratio.
References
1. Jiang, Y. and Ling, T.C., 2020. Production of artificial aggregates from steel-making slag: Influences of
accelerated carbonation during granulation and/or post-curing. Journal of CO2 Utilization, 36, pp.135-144.
2. Ren, P., Ling, T.C. and Mo, K.H., 2021. Recent advances in artificial aggregate production. Journal of
Cleaner Production, 291, p.125215.
3. Gunning, P.J., Hills, C.D. and Carey, P.J., 2009. Production of lightweight aggregate from industrial waste and
carbon dioxide. Waste management, 29(10), pp.2722-2728.
4. Gesoğlu, M., Özturan, T. and Güneyisi, E., 2007. Effects of fly ash properties on characteristics of cold-bonded
fly ash 3lightweight aggregates. Construction and Building Materials, 21(9), pp.1869-1878.
5. Behera, M., Bhattacharyya, S.K., Minocha, A.K., Deoliya, R. and Maiti, S., 2014. Recycled aggregate from
C&D waste & its use in concrete–A breakthrough towards sustainability in construction sector: A review.
Construction and building materials, 68, pp.501-516.
139
P-065
Surface induced catalysis of aza-Michael addition reaction using molecular sieves as

a catalyst
Parineeta Das, Amrit Puzari*
Department of Science and Humanities, National Institute of Technology Nagaland, Chumukedima, India.
Abstract
In this work, a novel and highly effective one-pot microwave-assisted aza-Michael addition reaction1 of
acrylonitrile with primary aliphatic amines has been reported. The reaction was catalyzed by a cost-
effective, highly efficient and eco-friendly catalyst molecular sieve2 of 4Aº. It proves to be a convenient
access to the adducts synthesis allowing the reactants to get adsorb on the microporous structure of the
molecular sieve favouring the reaction to take place3. By optimizing the appropriate pore diameter4 of the
molecular sieve to 4Aº with respect to that of the reactants, selective conversions was done. A detailed
investigation on reaction controlling parameters like reaction timing and amount of catalyst used was
studied. The significance of the catalyst was confirmed by Sheldon’s hot filtration test5. Heterogeneity of
the catalyst remain intact for five consecutive cycles without any noticeable change in the yield. Various
techniques such as FT-IR, 1H-NMR and ESI-MS have been used for characterization. This reaction has
a wide range of application in the production of antibiotics, anticancer and bioactive molecules.
References
1. F. Guo, J. Chen, Y. Huang, ACS Catal., 2021, 11, 6316-6324
2. H. Tang, Q. Dai, Y. Cao, X. Wei, J. Li, X. Zou, Energy Fuels., 2021, 35, 4138-4147
3. P. R. Pujado, J. A. Rabo, G. J. Antos, S. A. Gambicki, Catal. Today, 1992, 13, 113–141
4. P. B. Venuto, Microporous Mater , 1994, 2, 297-411
5. S. Zahedi, E. Safaei, Appl. Surf. Sci., 2021, 552, 149379
140
P-066
A combined machine learning and DFT simulation approach to elucidate the

activity of doped graphene dual site catalysts for methane upgrading
Amrish Kumar1, Shantanu S. Sontakke1, Tuhin S. Khan2*, Manoj Ramteke1, M. Ali Haider1*
1
Department of Chemical Engineering, Indian Institute of Technology Delhi – New Delhi, 110016, Delhi, India
2
Light Stock Processing Division, CSIR-Indian Institute of Petroleum, Dehradun, India
Abstract
Inspired by recent experimental advancements in synthesizing graphene based dual metal site catalysts
(DMSCs), we studied non-oxidative coupling of methane (NOCM) on a series of DMSCs (transition
metal doped) by means of DFT and ML. The DFT evaluated adsorption energies and transition state
energies for the initial C-H activation step of NOCM are used as target variable for training the ML
models. In addition, several readily available features (viz. atomic number, atomic mass, group, period,
radius, electronegativity, melting point, boiling point, heat of fusion, ionization energy, surface energy,
density, d-band center, d-band filling, and Wigner-Seitz radius) associated with both the transition metals
doped on graphene are used as input features which is utilized by ML models to predict catalytic activity
of DMSCs.1,2 In this study, random forest regression (RFR) and extra tree regression (ETR) models were
selected since they both showed the same test error value while predicting the target variables. The test
error for the predicted adsorption and transition states energies are 0.32 eV and 0.27 eV, respectively.
This demonstrates that ML models can be used for catalyst screening by also providing promising
descriptors from the input features which can be utilized by other similar studies to accelerate the catalyst
search.
References
1. S. Saxena, T. S. Khan, F. Jalid, M. Ramteke, M. A. Haider, Journal of Materials Chemistry A 2019, 8(1), 107-123.
2. A. Kumar, J. Iyer, F. Jalid, M. Ramteke, T. S. Khan, M. A. Haider, ChemCatChem 2022, 14, e202101481.
141
P-067
Ionic γ-FeO(OH) nanocrystal stabilized by the smallest isopolymolybdate cluster as

reactive core for water oxidation
Laxmikanta Mallick, Biswarup Chakraborty*
Department of Chemistry, IIT Delhi, Hauz Khas, New Delhi 110016
Abstract
At near neutral to basic pH, hydrolysis induced aggregation to insoluble bulk iron-oxide is often regarded
as the pitfalls of molecular iron clusters. Iron-oxide nanocrystals are encouragingly active over the
molecular clusters and/or bulk oxides albeit, stabilizing such nanostructures in aqueous pH and under
turnover condition remain a perdurable challenge.1,2 Herein, an Anderson type [Mo7O24]6- isopolyanion,
the smallest (dimension 0.85 nm) isolable polyoxometalate (POM) possessing only {31} atoms, has been
introduced for the first time as a covalent linker to stabilize an infinitely stable and aqueous-soluble
[Mo7O24]6--capped-γ- FeO(OH) nanocore (1). Due to high ionic charge (-0.19 per atom) on one of
the twelve {Mo=O} terminals of the [Mo7O24]6-, it covalently linked to γ-FeO(OH) core in 1 via MoVI-
µ2O-FeIII bridging, established by numerous spectroscopic and microscopic evidences. The γ- FeO(OH)
nanocore of 1 behaves as potent active center for electrochemical water oxidation with a overpotential,
263 mV @ 10 mA cm-2, a lower value than that of bare γ-FeO(OH). Anionic POM fragments covalently
bound to the OER active γ-FeO(OH) core of 1 makes the surface predominantly ionic that results in an
ordered electrical double layer to promote a better charge transport across the electrode-electrolyte
junction, less likely in bulk γ- FeO(OH).3
References
1. Kundu, L. Mallick, A. Rajput, Y. Kumar, B. Chakraborty, Mater. Today Chem. 2022, 25, 100927.
2. L. Mallick, A. Rajput, M. K. Adak, A. Kundu, P. Chaudhary, B. Chakraborty, Dalton Trans. 2022
3. https://doi.org/10.1039/D2DT01860H
4. L. Mallick, B. Chakraborty, Ionic γ-FeO(OH) Nanocrystal Stabilized by the Smallest
Isopolymolybdate Cluster as Reactive Core for Water Oxidation. 2022 (under review)
142
P-068
Enhancement of oxygen evolution activity by addition of Cr to Au supported CoOx
Bapuji Mohapatra, Abhinaba Das, Vipin Kamboj, Chinmoy Ranjan*

Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore, India.
Abstract
Oxygen evolution is an essential anodic reaction in aqueous medium electrochemical reactions. The
development of an economical electrocatalyst with enhanced catalytic efficiency is required for the
commercial applications of water electrolysis and synthetic fuel production from CO2 and H2O. We have
studied Co-based catalysts for Oxygen Evolution Reaction (OER) in alkaline media. Adding Cr to CoOx
supported on Au (Co[Cr]Ox/Au) improved the catalytic efficiency significantly and has an early OER
onset compared to pure CoOx. The presence of Cr in the CoOx system redistributes the CoOx phases at
Open Circuit Potential (OCP) and helps stabilize the Cobalt's lower oxidation states. In situ Raman
spectroscopy reveals a potential dependent phase with a vibrational band at 810 cm-1 in the OER potential
regime for all catalysts. Studies based on Isotopic substitution combined with Raman Spectroscopy
suggest that AuOOH (peroxide) is the active phase that catalyzes the OER.
References
1. A. Das, B. Mohapatra, V Kamboj, C Ranjan, ChemCatChem 2021, 13, 2053-2063
143
P-069
Improved OER performance of an anderson-supported cobalt coordination

polymer by assembling with acetylene black
Parul Sood, Arti Joshi, Ashish Gaur, Deepika Rani, Venika Madaan, Monika Singh*
Energy and Environment Unit, Institute of Nano Science and Technology, Mohali-140306, Punjab, India.
Abstract
Polyoxometalates (POMs) represent a class of nano-materials, which hold enormous promise for a range
of energy-related applications. Their promise is owing to their ‘‘special’’ structure that gives POMs a
truly unique ability to control redox reactions in energy conversion and storage. One such amazing
capability is their large number of redox active sites that arises from the complex three-dimensional
cluster of metal-oxide ions linked together by oxygen atoms. In the last few decades various research
groups from all over the world have contributed towards understanding of the process of oxygen evolution
and designing of robust and efficient WOC (water oxidation catalyst). Since POMs have emerged from
electroactive clusters to energy materials, herein we present a novel Anderson-based coordination
polymer, [{Co(2-pzc) (H2O)2}2{H7AlMo6O24}].10H2O.2.5CH3OH (PS-13), that shows electrocatalytic
oxygen evolution. The integration with co-catalyst, acetylene black (AB) results in a composite material,
AB&PS-13 (1:2) with very competent OER catalytic characteristics.
References
1. Joshi, P. Sood, A. Gaur, D. Rani, V. Madaan, M. Singh, J. Mater. Chem. A., 2022, 10.1039/D2TA01134D.
144
P-070
Strategies for suppressing H2O2 formation during oxygen reduction reaction using
mixed metal oxide catalysts
Sekhar Kumar Biswal, Chinmoy Ranjan*
Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore, India
Abstract
Widespread implementation of fuel cell technology has been hampered by challenges originating from
the oxygen reduction reaction (ORR). Even the most advanced ORR catalysts present high overpotentials
and poor selectivity for the reduction of O2 to H2O. A substantial amount of H2O2 is generated as a
product of incomplete reduction.
We developed a series of cost-effective cobalt-doped copper oxide (Cu[Co]Ox) composite catalysts
supported on Au. These catalysts show not only lower overpotentials but also very high selectivity for
the complete reduction of O2 to H2O.
Specifically, Cu-rich compositions, such as Cu0.8Co0.2Ox/Au, demonstrated remarkable activity and >
97% selectivity for H2O over a sizeable potential range (1.0 – 0.6 V) relevant to ORR. These catalysts
were found even to outperform Pt in both activity, selectivity, and performance stability.
These catalysts have been investigated using in situ Raman Spectroscopy and X-Ray Photoelectron
Spectroscopy. Our studies indicate that the composite materials have a Co-active site embedded within
the CuOx framework. The resulting sites lower the free energy of the potential determining step and
enhance yield for the complete reduction to H2O. Specifically, these catalysts preferentially cleave the O-
O bonds result in high selectivity for the 4e pathway.
145
P-071
Catalytic regeneration of amine-based CO2-separation solvents

Shaurya Mohan, Namrata Upreti, Prakash Vaidya*
Department of Chemical Engineering, Institute of Chemical Technology (ICT), Mumbai, India. E-
mail:[email protected], [email protected], [email protected]
Abstract
Catalyst-aided amine regeneration is a potential method for improving CO2 desorption, and thus, lowering
the solvent regeneration cost. Metal oxides are efficient catalysts for the regeneration of CO2- rich amine
solutions.1-3 In this work, the solid acid catalyst alumina was used for the regeneration of amine-based
solvents at T=363 K. The investigated solvents comprised a hindered amine (AHPD or 2- amino-2-
hydroxymethyl-1,3-propanediol), amine promoter (piperazine, PZ or hexamethylene diamine, HMDA)
and water. The chosen catalyst/solvent ratio was 1/80. The extent of CO2 desorption from aqueous
AHPD+HMDA mixtures was higher than that from aqueous AHPD+PZ. Organic co-solvent triethylene
glycol (TEG) was added to aqueous AHPD+HMDA mixtures. The influence of alumina catalyst on the
desorption features of AHPD+HMDA in co-solvents TEG+H2O was studied. Catalytic regeneration
proved to be effective. For instance, the extent of alumina-aided desorption was 60%. The value of the
cyclic capacity of this absorbent for the catalytic process was encouraging (0.43 mol/mol). In this way,
useful insights into the desorption features of blended amines AHPD+HMDA in mixtures of TEG and
H2O were obtained.
References
1. X. Zhang, Y. Huang, H. Gao, X. Luo, Z. Liang, P. Tontiwachwuthikul, Appl. Energy, 2019, 240, 827-841
2. U. H. Bhatti, S. Nam, S. Park, and I. H. Baek, ACS Sustain. Chem. Eng., 2018, 6, 12079–12087
3. U. H. Bhatti, A. Ienco, M. Peruzzini, and F. Barzagli, ACS Sustain. Chem. Eng., 2021, 9, 15419–15426
146
P-072
Highly selective photocatalytic acetylene semi hydrogenation using ‘black gold’

based nanoreactors
Gunjan Sharma, Vivek Polshettiwar*
Abstract
Ethylene feedstock used in the polyethene industry contains acetylene as an impurity (0.5-2%) which in turn
poisons the Zeigler Natta catalyst and affects the quality of the target polymer. 1 Converting acetylene selectively
to ethene is therefore the most economical solution to this problem. In this work, we have synthesized Ru-Pt laden
‘black gold’ also known as DPC (Dendritic Plasmonic Colloidosomes) where DPC was synthesized using high
surface area DFNS 2,3 and sub nanometer sized Pt doped Ru clusters4 were wet impregnated on black gold.
Conditions for removing capping agent-PVP from the deposited clusters were optimized and air calcined sample
at 800°C showed the best activity in comparison to H2 reduced sample. The physical and chemical properties of
the samples were analyzed using different characterization techniques- XRD, TEM, EDX, UV-DRS and TGA.
Different loading and flow studies were carried out to achieve the highest reported ethene productivity (~373 mmol
gcat-1h-1) with 94% selectivity. Intensity dependence and surface measurement studies were done for DPC-RuPt-
10% to deduce photothermal or electron transfer mechanism of the plasmonic nanoreactors (DPC) used.
Photocatalytic studies with DPC, DPC-RuPt, DPC-Ru and DPC-Pt as controls highlighted the significance of all
three metal components of the catalyst (Au, Ru and Pt) to achieve the highest reported productivity and selectivity.
References
1. Borodziński, G. C. Bond, Catal. Rev. Sci. Eng. 2006, 48 (2), 91–144.
2. M. Dhiman, A. Maity, A. Das, R. Belgamwar, B. Chalke, Y. Lee, K. Sim, J.M. Nam, V. Polshettiwar, Chem. Sci.,
2019, 10, 6594
3. V. Polshettiwar, ACS Accounts of Chemical Research, 2022, 55, 1395–1410
4. R. Verma, R. Belgamwar, V. Polshettiwar, ACS Materials Letters, 2021, 3, 574–598
5. S. Matsuda, S. Masuda, S. Takano, N. Ichikuni, T. Tsukuda, ACS Catal.,2021, 11, 10502−10507
147
P-073
Fabrication of biomass derived heterogeneous catalyst for biodiesel production

Ankita Sarkar, Bappi Paul*, Amrit Puzari*
Department of Science and Humanities, National Institute of Technology Nagaland, Chumukedima,
Nagaland, India
Abstract
The growth in Industrialization and modernization comes with the increasing demand of energy. The
search for alternative fuel as a replacement of fossil fuels has attracted researchers around the globe.
Biodiesel has played a crucial role in this regard and has been proved to be a potential candidate1. In this
study, we report the fabrication of efficient heterogeneous base catalyst employing Parkia speciosa
(Manipuri beans) as biomass source and investigation of its activity for production of biodiesel from
soybean oil. The catalyst was prepared through simple calcinations method at 700 oC. Characterization
techniques like TGA, IR, PXRD, SEM, TEM EDS and XPS were employed to determine the nature and
morphology of the catalyst2. At optimum reaction conditions the maximum yield of biodiesel was found
to be 96.48%. The K and Ca content of the catalyst were considered to be responsible for exhibiting basic
nature and catalytic activity in the reaction3. The product formed were characterized by GC-MS and H1
NMR analysis4. The product conversion percentage was calculated as 83.33%.
References
1. M. Gohain, A. Devi, D. Deka, Industrial Crops and Products, 2017, 109, 8-18.
2. I.B. Laskar, K. Rajkumari, R. Gupta, S. Chatterjee, B. Paul, L. Rokhum, RSC advances, 2018, 8(36), 20131-20142.
3. K.S. Eldiehy, M. Gohain, N. Daimary, D. Borah, M. Mandal, D. Deka. Renewable Energy, 2022, 191, 888-901.
4. I.B. Laskar, T. Deshmukhya, P. Bhanja, B.Paul, R. Gupta, S. Chatterjee, Renewable Energy, 2020, 162, 98-111.
148
P-074
Nano-channel mediated electrical and photoconductivity of metal organic nanotube

Ritu Ladhi, Deepika Rani, Monika Singh*
Institue of Nano Science and Technology (INST), SAS Nagar (Mohali), India.
Abstract
The structural features of Metal Organic Frameworks are very tempting and have proven themselves to
be promising candidates for different applications like gas storage and separation, catalysis, sensing,
magnetism, drug delivery etc. The nanotubular structure of MOF leads to a new class, called as Metal
organic nanotubes (MONT) which are structurally analogous to CNTs. Herein, we explored the electrical
conductivity and photoconductivity of two isostructural MONTs, [Zn3(btc)2(μ3-OH)(DMF)]•H2O (Zn-
Zn-btc) and (ZnNi2(btc)2(µ3-OH)DMF).H2O (Zn-Ni-btc). The electrical conductivity of Zn-Zn-btc is 100
times higher than Zn-Ni-btc despite the fact that both are isostructural. The lower conductivity of Zn-Ni-
btc is attributed to low charge carrier density and mobility due to atomic mismatch. Zn-Ni-btc displayed
decrease in conductivity with increasing temperature (above room temperature) and then started to
increase after 373K, showing lattice vibration mediated transport below 373K and hopping mediated
electrical transport after 373K. Whereas, Zn-Zn-btc showed continuous decrease in conductivity with
temperature mainly due to phonon mediated transport mechanism. Both the compounds show
photoconductivity effect at room temperature. The blue light induced photo conductivity of Zn-Ni-btc is
almost 14% higher than Zn-Zn-btc. The photo-switch effect is shown by both the MONTs. Thereby, these
materials can be exploited for applications like optoelectronics, nanoelectronics etc.
References
1. D. Rani, A. Singh, R. Ladhi, L. Singla, A. R. Choudhury, K. K. Bhasin, C. Bera, M. Singh, ACS Sustainable
Chem. Eng. 2022, 10, 21, 6981–6987.
149
P-075
Organic-inorganic hybrid photocatalyst consisting of highly conjugated metal

complex and graphitic carbon nitride for efficient hydrogen evolution
Bishal Das, Meghali Devi, Prof. Siddhartha Sankar Dhar*
Department of Chemistry, National Institute of Technology, Silchar E-mail: [email protected],
[email protected]
Abstract
Copper tetraphenylporphyrin tetrasulfonic acid (Cu-Por) metal complex has been anchored over graphitic
carbon nitrides (GCN) sheets by electrostatic interaction. The incorporation of photosensitizer through π-
π interactions has greatly enhanced the light absorption capacity and inhibited the recombination of
photogenerated charge carriers as evident from PL, TR-PL and photoelectrochemical analyses. The Cu-
Por/GCN catalyst showed 4.1 mmol g-1 h-1 H2 evolution which was 6.8 times higher than GCN and a high
AQY of 65.1 % upon irradiation with 400 W metal halide bulb. The high conjugation of porphyrin ring
extended the light absorption of GCN toward the red region of visible light spectra with just 0.6 % of
copper concentration.
References
1. B. Das, D. Gogoi, M. Devi, S.S. Dhar and N.R. Peela, Energy & Fuels, 2021, 35, 15223−15233
150
P-076
“Antenna-Reactor” hybrid nanostructures for enhanced plasmonic photocatalysis

Ankit Dhankhar and Pramod P. Pillai*
Indian Institute of Science Education and Research (IISER), Dr. Homi Bhabha Road, Pashan, Pune – 411008, India.
E-mail: [email protected] and [email protected]
Abstract
Plasmonic nanomaterials of Au, Ag, Cu, and Al have emerged as an important class of photocatalysts
because of their exceptionally high light absorption capabilities, which enable them to carry out
challenging chemical transformations.1,2 However, their low chemical affinity towards most of the
adsorbate/reactant molecules presents fundamental limitations such as low yield and selectivity in sole
plasmonic photocatalysis.3 In recent years, researchers have developed strategies to enhance the charge
separation and extraction processes by modulating the catalyst-reactant interaction and designing
plasmonic antenna-reactor systems.3,4 In an antenna-reactor system, a plasmonic component concentrates
the light energy, and an attached non-plasmonic component extracts this energy to generate hot charge
carriers to carry out chemical transformations.1 In this direction, our group has prepared an antenna-
reactor system comprising of gold-rhodium nanoflowers (Au@Rh NFs), and precisely modified the
surface chemistry to carry out the photocatalytic regeneration of nicotinamide cofactor (NADH). NADH
is an important cofactor that is used by oxidoreductase enzymes in various biocatalytic reactions, and its
regeneration using light is an important area in biocatalysis.5 Appropriately functionalized Au@Rh NFs
efficiently photocatalysed the regeneration of NADH (̴ 30%; total conversion), which was attributed
to the (i) enhanced catalyst-mediator interaction and (ii) antenna-reactor effect. The photocatalytic
performance was retained for at least five cycles, which establishes Au@Rh NFs as a promising antenna-
reactor system for future photocatalytic NADH regeneration.
References
1. S. Linic, S. Chavez, R. Elias, Nat. Mater. 2021, 20, 916-924.
3. M. Herran, A. Sousa-Castillo, C. Fan, S. Lee, W. Xie, M. Döblinger, B. Auguié, E. Cortés, Adv. Funct. Mater.
2022, 2203418.
4. S. Roy, S. Roy, A. Rao, G. Devatha, P. P. Pillai, Chem. Mater. 2018, 30, 8415–8419.
5. S. Roy, V. Jain, R. K. Kashyap, A. Rao, P. P. Pillai, ACS Catal. 2020, 10, 5522–5528.
151
P-077
Stability and efficiency enhancement in organic solar cells using self-assembled

monolayer molecules as hole transport layer
Rakesh Suthar, Abhijith T and Supravat Karak*
Organic and Hybrid Electronic Device Laboratory, Department of Energy Science and Engineering, Indian Institute
of Technology Delhi, New Delhi 110016, India
E-mail: [email protected],in, [email protected]
Abstract
Recently, the self-assembled monolayer (SAM) molecules have achieved considerable research interest
in various photovoltaic technologies, including perovskite, organic and perovskite-Si tandem solar cells.1–
5
High charge carrier mobility and optical transparency with suitable energy levels make these molecules
excellent choices as hole transport layers (HTLs) in organic solar cells (OSCs). More than 17% efficiency
and excellent photostability have been frequently reported in SAM based OSCs.4,5 In this work, non-
fullerene OSCs based on PM6:Y6 active layer were fabricated using two different SAM molecules
(2PACz and MeO-2PACz) as the HTL. The morphological and optical characteristics of the SAMs were
investigated using atomic force microscopy and UV-Vis absorption spectroscopy, respectively. Various
electrical measurements were carried out to investigate the effects of SAMs on the charge carrier
dynamics of the devices. Furthermore, we performed finite-difference time-domain simulations (FDTD)
to monitor the exciton generation in fabricated devices. The experimental and theoretical results revealed
the superior performance of SAM based devices compared to conventional PEDOT:PSS based devices.
The present study provides vital information for the rational optimization of efficient OSCs using SAMs
as HTLs that simultaneously enable high efficiency and long-term operational stability.
References
1. Al-Ashouri, A. Magomedov, M. Roß, M. Jošt, M. Talaikis, G. Chistiakova, T. Bertram, J. A. Márquez,
E. Köhnen, E. Kasparavičius, S. Levcenco, L. Gil-Escrig, C. J. Hages, R. Schlatmann, B. Rech, T.
Malinauskas, T. Unold, C. A. Kaufmann, L. Korte, G. Niaura, V. Getautis and S. Albrecht, Energy
Environ. Sci., 2019, 12, 3356– 3369.
2. J. Diekmann, P. Caprioglio, M. H. Futscher, V. M. Le Corre, S. Reichert, F. Jaiser, M. Arvind, L. P.
Toro, E. Gutierrez-Partida, F. Peña-Camargo, C. Deibel, B. Ehrler, T. Unold, T. Kirchartz, D. Neher and
M. Stolterfoht, Sol. RRL, 2021, 5, 2100219.
3. Z. Dai, S. K. Yadavalli, M. Chen, A. Abbaspourtamijani, Y. Qi and N. P. Padture, Science (80-. )., 2021,
372, 618– 622.
4. Y. Lin, A. Magomedov, Y. Firdaus, D. Kaltsas, A. El‐Labban, H. Faber, D. R. Naphade, E. Yengel, X.
Zheng, E. Yarali, N. Chaturvedi, K. Loganathan, D. Gkeka, S. H. AlShammari, O. M. Bakr, F. Laquai,
L. Tsetseris, V. Getautis and T. D. Anthopoulos, ChemSusChem, 2021, 14, 3569–3578.
5. Y. Lin, Y. Firdaus, F. H. Isikgor, M. I. Nugraha, E. Yengel, G. T. Harrison, R. Hallani, A. El-Labban, H.
Faber, C. Ma, X. Zheng, A. Subbiah, C. T. Howells, O. M. Bakr, I. McCulloch, S. De Wolf, L. Tsetseris
and T. D. Anthopoulos, ACS Energy Lett., 2020, 5, 2935–2944.
152
P-078
Direct catalytic conversion of methane to aromatics using molybdenum supported

zeolite catalyst
Anil Chandra Kothari1, 2, Sonu Bhandari1, 2, Dr. Rajaram Bal*
1
Light stock processing Division, CSIR-Indian Institute of Petroleum, Dehradun, Uttarakhand, India
2
Academy of Scientific and Innovative Research, Ghaziabad, Uttar Pradesh, India
E-mail: [email protected], [email protected].
Abstract
This work studies the direct conversion of methane, which is 21 times more potential greenhouse gas than
carbondioxide1, into aromatics which are employed to make plastics & polymers, polystyrenes & styrenic
products such as SBR latex & ABS, phenol & cyclohexane, nitrobenzene production. There are already
so many paths for conversion of methane to a valuable industrial product in an indirect way as dry
reforming, steam reforming, dry reforming, bi reforming, tri reforming, and partial oxidation of methane.
But the direct conversion of methane to aromatics is low energy intensive and less expensive. The strong
acidity, shape selectivity for benzene and incredible thermal & hydrothermal stability2 makes zeolite the
best choice for methane aromatization. Since the hard or polyaromatic type of coke inside the pore of
ZSM-5 block them3 so, using mesoporous zeolite, this problem is being resolved. We have prepared a
mesoporous Mo/ZSM-5 catalyst using the wetness impregnation method. This catalyst gives the 18%
conversion and approx 13% benzene selectivity with 2.4% benzene yield at 5010 ml g-1h-1 GHSV &
7000C temperature with 0.2gm catalyst loading. We have applied feed molar ratio CH4: N2 = 9:1, with a
total flow of 16.7 ml for methane dehydroaromatization reaction. By-products include carbon monoxide,
ethane, ethylene, propylene, and hydrogen.
References:
1. Jones, H. A.; Nedwell, D. B., Methane emission and methane oxidation in land-fill cover soil. FEMS
Microbiology Ecology 1993, 11 (3-4), 185-195.
2. Tempelman, C. H. L., Hierarchical zeolites for catalytic hydrocarbon conversion. 2015.
3. Gu, Y.; Chen, P.; Yan, H.; Wang, X.; Lyu, Y.; Tian, Y.; Liu, W.; Yan, Z.; Liu, X. J. A. C. A. G., Coking
mechanism of Mo/ZSM-5 catalyst in methane dehydroaromatization. 2021, 613, 118019.
153
P-079
Highlyactive and selective Li/MgO catalyst for methane transformation to C2

hydrocarbons
Swati Rana1, Rohan Singh Pal1,2, and Rajaram Bal*1,2
1
India, email: [email protected]
2
Academy of Scientific and Innovative Research, Ghaziabad, Uttar Pradesh- 201002, India
Abstract
Development of energy-efficient and economically attractive ways of utilization of methane for the
production of chemicals/ liquid fuels remains one of the long-standing challenges in catalysis. In this
work we have synthesized Li/MgO catalysts by successive deposition-sublimation method which showed
high activity and stability during the oxidative conversion of methane to olefins. A surfactant assisted
solvothermal method was used to synthesize the MgO support, then Li was deposited onto it by applying
successive deposition-sublimation method, where initially deposited Li was sublimated and stabilized at
900°C and this process was done for three consecutive times to prepare the final Li doped MgO catalyst.
For comparison purpose, several Li loaded catalyst were also prepared by deposition method only.The
prepared catalysts were characterized by X-ray diffraction (XRD), high-resolution transmission electron
microscope (HR-TEM), temperature-programmed desorption (TPD), and various other spectroscopy
techniques. The catalyst prepared by deposition-sublimation method (3.6Li/MgODep-Sub) showed highest
methane conversion ~ 38% and total C2 selectivity of 78% at 700 °C with 55% ethylene selectivity and
23% ethane selectivity. Moreover, we did not observed any catalyst deactivation up to 24 h time-on-
stream.
References
1. Y. Chen, X. Mu, X. Luo, K. Shi, G. Yang and T. Wu, Energy Technology, 2020.
2. I. Kim, G. Lee, H. B. Na, J.-M. Ha and J. C. Jung, Molecular Catalysis, 2017.
3. J. T. Grant, J. M. Venegas, W. P. McDermott and I. Hermans, Chemical review.
4. V. Lomonosov and M. Y. Sinev, Kinetics and Catalysis, 2016.
5. G. Keller and M. Bhasin, Journal of Catalysis, 1982.
154
P-080
Surface plasmon-enhanced photo-driven CO2 reduction by hydroxy terminated

nickel nitride nanosheets
Saideep Singh,1 and Vivek Polshettiwar1*
1
Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), Mumbai, India
Abstract
The plasmonic photocatalytic conversion of CO2 into valuable solar fuels and chemicals is an
appealing way to recycle carbon while addressing global warming and the energy issue. However, almost
all visible light active plasmonic catalysts are limited to Au, Ag, Cu, and Al, which have considerations
in terms of costs, accessibility, and instability (in particular with Cu, Ag and Al).1,2
Our idea is to replace metal nanoparticles with an alternative and stable plasmonic material, one
capable of performing a challenging CO2 reduction reaction. In this work, we have synthesized plasmonic
Ni3N nanosheets by a solvothermal process. We have found that plasmonic Ni3N nanosheets catalyze
photocatalytic CO2 reduction using visible light. This is the first report of photocatalytic CO2 reduction
with Ni3N nanosheets. The reaction was carried out at low temperatures under light irradiation of different
intensities without any external heating. The Ni3N nanosheets showed an excellent CO production rate of
610 mmol g-1 h-1 that too in the flow conditions, with 100% CO selectivity. The reaction mechanism and
the role of plasmon excitation were studied by i) light intensity-dependent production rate, ii) nanosecond
transient absorption spectroscopy, iii) in-situ diffuse reflectance infrared Fourier transform spectroscopy
(DRIFTS) study. The key proof of the non-thermal effect came from the TPReaction study.
References
6. Camargo, C. H. P., Cortés, E. Plasmonic catalysis: From fundamentals to applications. ISBN: 978-3-527-
34750-6 Wiley-VCH, Weinheim (2021).
7. Verma, R., Belgamwar, R., Polshettiwar, V. Plasmonic Photocatalysis for CO2 Conversion to Chemicals and
Fuels. ACS Mater. Lett. 3, 574–598 (2021).
155
P-081
Improving water-mediated hydrodeoxygenation of vanillin using Mo incorporated

Co-MOF derived MoCoOx@C
Ashish Kumar Kar, Rajendra Srivastava*
Department of Chemistry, Indian Institute of Technology Ropar, Rupnagar-140001, India E-mail:
Abstract
Lignin-derived aryl ethers and vanillin are essential platform chemicals to fulfill the demands of
renewable aromatic compounds. Herein, a highly efficient heterogeneous catalyst is reported for the
reforming of vanillin to 2-methoxy-4-methylphenol (MMP) via the selective hydrodeoxygenation route,
a precursor to medicinal, food, and petrochemical industries. A series of highly efficient MoCoO x@C
catalysts were designed and synthesized by decorating Co-BTC MOF on different contents of MoO3 rod,
followed by the carbonization process. Among the catalysts, the appropriate content of Co and Mo in
200MoCoOx@C afforded ~99% vanillin conversion and ~99% MMP selectivity at 150 °C after 1.5 h in
an aqueous medium using 5 bar of H2 pressure. In contrast, the Mo free catalyst i.e., CoOx@C afforded
~75% vanillin conversion and ~85% MMP selectivity. The detailed catalyst characterization and
controlled reaction revealed that the CoO and Co2Mo3O8 were the active species for the exceptionally
higher activity of MoCoOx@C. Higher H2 adsorption characteristics and higher acidity of MoCoOx@C
were beneficial for the hydrodeoxygenation of vanillin and other homologous compounds. The catalyst
can be efficiently recycled with negligible loss in the activity in the 5th cycle. The present findings on
the systematic elucidation of the active sites of cost-effective mixed metal oxide-based 200MoCoOx@C
catalyst for the selective hydrodeoxygenation of vanillin to MMP are extremely important for the
academic catalysis community and to the industrialists.
References
1. P. Hao, D. K. Schwartz, J. W. Medlin, ACS Catal. 2018, 8, 11165– 11173.
2. R. Nie, H. Yang, H. Zhang, X. Yu, X. Lu, D. Zhou and Q. Xia, Green Chem. 2017, 19, 3126–3134.
3. J. L. Santos, M. Alda-Onggar, V. Fedorov, M. Peurla, K. Eranen, P. Maki-Arvela, M. A. Centeno, D. Y.
Murzin, Appl. Catal., A, 2018, 561, 137–149.
156
P-082
Mechanistic study on the role of lewis base addition and vanadia deposition on ceria
based catalysts for oxidative dehydrogenation of propane
Anoop P Pushkar*, Jithin John Varghese
Department of Chemical Engineering, Indian Institute of Technology Madras, India.
E-mail: [email protected]*, [email protected]
Abstract
Oxidative dehydrogenation (ODH) of propane is a potential alternative for the conventional cracking
processes, as it is an exothermic and direct process for obtaining propene.1,2 Ceria based catalysts exhibit
good surface reducibility properties3 and are promising propane ODH catalysts, provided the
overoxidation of products is controlled. Using periodic Density Functional Theory (DFT) calculations,
this work proposes two strategies to improve propene selectivity over the ceria surface: 1) Lewis base
addition4 and 2) Vanadia deposition (VOx/CeO2). The Lewis base effects were studied with hydroxyls
(OH-), and Vanadia deposition was studied at low and high V loadings over ceria catalysts. A 1 ML
surface hydroxylation enhanced the propane ODH product desorption and inhibited their subsequent
overoxidation due to the destabilization and induced hyperconjugation effects in the C3 adsorbates. Also,
a mechanistic shift from Mars Van Krevelen (MVK) type to Langmuir Hinshelwood (LHHW) type in the
second C-H activation of propane, ensured selective formation of propene at 1 ML surface hydroxylation.
The VOx/CeO2 systems offered lower energy barriers for propane activation and for propene formation
than the typical chromium oxide- based catalysts used in commercial CATOFIN5 processes. At high V
loadings, propene selectivity was enhanced due to restricted product overoxidation.
References
1. F. Cavani, N. Ballarini, A. Cericola, Catal. Today, 2007, 127, 113–131.
2. C. A. Carrero, R. Schloegl, I. E. Wachs, R. Schomaecker, ACS Catal., 2014, 4, 3357–3380
3. Trovarelli, Catal. Rev. Sci. Engg., 1996, 38, 439–520.
4. P. Pushkar J. J. Varghese, J. Catal., 2022, 413, 681-691.
5. M. Huš, D. Kopač, B. Likozar, J. Catal., 2020, 386, 126–138.
157
P-083
Photoredox C-C coupling reactions inside supramolecular cavities
Kishan K. Yadav, Jyotishman Dasgupta*

Abstract
Enzymes act as nano-vessels which can selectively catalyze chemical reactions by confinement and
controlled activation of substrates.[1] Chemists have designed supramolecular cavities to mimic enzymes
and demonstrated selective product formation. [2] Recently it was shown that the photoactivation of
weakly polarized sp3 C-H bonds in water can be selectively done using water- soluble octahedral Pd6L4
12+
nano-cage. [3] However, these cages sometime suffer from low catalytic turnover due to product
trapping inside the nano-cages. [4] In order to solve this issue we have tried photocatalysis via charge
transfer mediated pathways inside a square pyramidal Pd L 12+ nano-bowl [5] which6 is4 formed by self-
assembly of [Pd(en)(ONO2)2] complex with triazine based ligands as the cavity walls. In this poster, I
will discuss our ongoing efforts to optimize and characterize the photocatalytic intermolecular C-C
coupling reactions between carbon centres with sp-hybridization leading to highly selective cyclization
reaction to form 4-membered anti-aromatic ring in aqueous medium using steady-state and transient
absorption spectroscopy. Subsequently, I will show that how the tuning of shape of confinement from
octahedral to square pyramidal is leading to different selectivity and faster kinetics.
References
1. J. Rittle, M. T. Green, Science 2010, 330, 933–937
2. Q. Zhang, K. Tiefenbacher, Nat. Chem. 2015, 7, 197–202
3. A. Das, I. Mandal, R. Venkatramani, J. Dasgupta, Sci. Adv. 2019, 5, eaav4806
4. M. Yoshizawa, M. Tamura, M. Fujuta, Science 2006, 312, 251-254.
5. S.-Y. Yu, T. Kusukawa, H. Funaki, K. Ogura, K. Yamaguchi, M. Fujita, Angew. Chem. Int. Ed. 1998, 37, No. 15
158
P-084
Incorporating boron into SrTiO3 lattice for enhanced selective electrocatalytic

nitrogen reduction to ammonia at ambient conditions
Paras Kalra, Pravin P. Ingole*
Department of Chemistry, Indian Institute of Technology Delhi, Delhi, 110016
Abstract
Accelerating the cleavage of the triple bond of Nitrogen molecule and simultaneously suppressing the
competitive Hydrogen Evolution Reaction (HER) is crucial for bringing the Electrocatalytic Nitrogen
Reduction technique to a large-scale industrial level. However, it is still a major challenge in this field.
Creating Electron Deficient sites in the catalyst is one of the most promising approaches that can serve
both the purpose at the same time and can improve the Electrocatalytic Nitrogen Reduction Reaction
(ENRR) activity. In this regard, Herein, we present enhanced ENRR activity on hydrothermally
synthesized Boron doped SrTiO3 nanocubes. A detailed study concluded that enhanced NH3 production
could be attributed to the synergistic effect of various factors, viz. enhancement in adsorption and
activation of N2 molecule (via Lewis Acid-Base interactions), Suppression of competitive HER (due to
electron-deficient nature of H+), creation of various defect sites (such as Oxygen Vacancies and Ti3+) and
improved conductivity1–4. Benefitting from the synergistic contribution of these factors, in the case of
optimum concentration of 4 mol% Boron doping, a remarkable ammonia yield rate of 27 μg h-1 mg-1 and
Faradaic Efficiency of 6.8 % was achieved at a very low bias of -0.3 V vs. RHE. However, a further
increase in the concentration of Boron to 10 mol
% catalyst leads to deterioration of the ENRR activity which can be attributed to excessive suppression
of H+ adsorption on the active sites, thereby weakening the subsequent hydrogenation of nitrogen species
to form ammonia. This study provides a new insight toward enhancing the electrocatalytic Nitrogen
reduction activity of noble metal-free SrTiO3 electrocatalysts by utilizing a promising approach of
tailoring catalytically active sites using non-metallic Boron doping.
References
1. T. Wu, H. Zhao, X.Zhu, Z. Xing, Q. Liu, T. Liu, S. Gao, S. Lu, G. Chen, A. M. Asiri, Y. Zhang, X.Sun, Adv. Mater.
2. 2020, 32 (30), 1–8.
3. Y. Hu, Z. L. Zhao, Ahmad, M. Harb,; L. Cavallo, L. M. Azofra, S. P. Jiang, X. Zhang, J. Mater. Chem. A 2022, 10
4. (23), 12713–12721.
5. M.Tang, X. Jiang, M. He, N. Jiang, Q. Zheng, D.Lin, Int. J. Hydrogen Energy 2021, 46 (1), 439–448.
6. X. Yu, P. Han, Z. Wei, L. Huang, Z. Gu,; S. Peng,S J. Ma, G. Zheng, Joule 2018, 2 (8), 1610–1622.
159
P-085
Facet dependent selectivity control for the conversion of furfural to acetyl products
on palladium catalyst with different solvents
Pallavi Dandekara, Govind Porwalb, Shelaka Guptaa*, Tuhin Suvra Khan*, M. Ali Haider**, Vinod
Prabhakaranb*a
Department of Chemical Engineering, Indian Institute of Technology Hyderabad, 502285, India
([email protected])bCSIR-National Chemical Laboratory, Pune, 411008, India
a*
([email protected]) Department of Chemical Engineering, Indian Institute of Technology Hyderabad,
502285, India ([email protected]) *CSIR- Indian Institute of Petroleum, Dehradun, 248005, India
([email protected]) **Department of Chemical Engineering, Indian Institute of Technology Delhi,
110016, India ([email protected]) b*CSIR-National Chemical Laboratory, Pune, 411008, India
([email protected])
Abstract
Product selectivity in Furfural acetalization reaction on well-defined supported Pd-nanostructures
(spheres, cubes and octahedral) with different alkyl alcohols was studied using defined experiments and
density functional theory (DFT) simulations. Furfural was converted into alkyl acetals under mild reaction
conditions. On Pd spheres and octahedras, furfural conversion and acetal selectivity were found to be
low. In contrast, on Pd cubes which only had (100) facet showed high furfural conversion and selectivity
towards the product, furfural diethyl acetal. Since the (100) facet is in minority (~24%) on a spherical
particle it becomes interesting to find out how Pd cubes being the minority sites governs the overall
conversion and selectivity. DFT simulations provided a mechanistic insight into the reactivity of the two
different facets, (111) and (100) towards furfural acetalization reaction. The calculation revealed that the
binding energies for different intermediates is higher on (100) than (111) facet and activation barriers for
different steps is lower on (100) than on (111) facet. Further we extended our theoretical studies to
understand the solvent and coverage effects on furfural conversion.
160
P-086
Insight into bimetallic synergy of supported nanoparticle catalyst for efficient

partial oxidation of methane
Md Jahiruddin Gazia,b, and Ankur Bordoloia,b*

a
Light and Stock Processing Division, CSIR-Indian Institute of Petroleum(IIP),Dehradun-248005
b
Academy of Scientific and Innovative Research (AcSIR),Ghaziabad-201002,India.
Email:[email protected], [email protected]
Abstract
Partial oxidation of methane (POM) is an important reaction in industry to generate Syngas in appropriate
ratio for downstream processes, however implementation is very limited in industries due to harsh process
conditions. Alternatively, CPOM can be operated in milder conditions and limit the hotspot formation,
yet to come to the industrial level. Noble metals like Pt, Pd, and Ru showed excellent performance for
catalytic conversion of methane to syngas (CO and H2)[1]. However, catalysts having the combination of
two or noble metals are rarely reported. Therefore, a series of bimetallic catalysts of Pd-Pt, Pt-Ru, and
Pd-Ru supported on ceria have been prepared by facile solution combustion method (SCS) to find out
whether there is any synergistic effect have been occurred as compared to their monometallic catalysts.
All the catalysts were characterized by XRD, BET, TPR, XPS, HRTEM, and RAMAN spectra. XPS and
Raman spectra confirm strong interaction between active metals and support to facilitate the synergistic
effect during the reaction. The strong interaction and higher dispersion of nano-particles of active metals
could enhance active sites for the efficient conversion of methane to syngas. HRTEM proves the alloy
formation of these bimetallic catalysts, which improved the reaction thermodynamic of the catalysts.
References
1. Y. Zhu et al., “In situ surface chemistries and catalytic performances of ceria doped with palladium, platinum,
and rhodium in methane partial oxidation for the production of syngas,” ACS Catal., vol. 3, no. 11, pp. 2627–
2639, 2013, doi: 10.1021/cs400070y.
161
P-087
Application of flyash based acidic heterogeneous catalyst for the oxidative

esulfurization of crude oil fraction
Akashdeep Karmakar1,3@, Nisha2,3, Anil Chandra Kothari1,3, Raj Kumar Singh2,3#, Rajaram Bal1,3*
1
India.2 Advanced Crude Oil Research Centre, CSIR-Indian Institute of Petroleum, Dehradun 248005,
Uttarakhand, India. 3Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India.
E-mail: *[email protected]& Tel +91 135 2525 917, #[email protected]& Tel : +91 135 2525 715,
@
[email protected]& Tel: +91 135 2525 797
Abstract:
Due to adverse effects on human health, air quality and environment, government has implemented
stringent automobile fuel specifications having a restriction on the sulfur level to 10 ppm max, since it is
highly corrosive to the column internals and it also deteriorates the quality of petroleum products during
refining. The desulfurization involves widely and commonly used Hydrodesulfurization (HDS) technique
requiring expensive H2 but some organic sulfur-containing species like dibenzothiophene (DBT)1 and its
derivatives are refractory for the HDS. So deep desulfurization of petroleum fraction needs other
techniques like oxidative desulfurization. Now to increase the efficiency an effective catalyst is also
needed. Flyash2, generated from coal combustion constituting various metal oxides, is considered to be
an industrial waste. In this work, Flyash derived acidic catalyst was prepared and characterized using
various analytical techniques. The catalytic activity of this catalyst for oxidation was evaluated in a crude
oil fraction (175-350oC) using H2O2 as an oxidant. The acetonitrile was used to extract solvent for further
extracting sulfoxides and sulfones3. The novel catalyst showed good oxidative desulfurization catalytic
activity with maximum removal of the DBT 78% at the optimized dose.
References
1. Haghighat Mamaghani, A.; Fatemi, S.; Asgari, M. J. I. J. o. C. E., Investigation of influential parameters in
deep oxidative desulfurization of dibenzothiophene with hydrogen peroxide and formic acid. 2013, 2013.
2. Yousuf, A.; Manzoor, S. O.; Youssouf, M.; Malik, Z. A.; Khawaja, K. S. J. J. M. E. S., Fly ash: production
and utilization in India-an overview. 2020, 11 (6), 911-921.
3. Zannikos, F.; Lois, E.; Stournas, S. J. F. p. t., Desulfurization of petroleum fractions by oxidation and solvent
extraction. 1995, 42 (1), 35-45.
162
P-088
TiO2 coated black gold over a magnetic nanoparticle - a potential material for
removal and recovery of uranium under visible light
Kuntal Kumar Pal1, Ch. Kishan Singh2, Sandip Kumar Dhara2, K. Ananthasivan1 *
1
Reprocessing Research & Development Division, Reprocessing Group, Indira Gandhi Centre For Atomic
Research (IGCAR) - A CI of Homi Bhabha National Institute, Kalpakkam, India- 603127
2
Surface and Nanoscience Division, Material Science Group, Indira Gandhi Centre For Atomic Research (IGCAR)
- A CI of Homi Bhabha National Institute, Kalpakkam, India- 603127
Abstract
This paper describes the synthesis of black gold1 over a magnetic nanosupport, Fe3O4 coated with TiO2
for its potential applications for the removal and recovery of uranium from waste water. The reaction that
ensues is a photocatalyzed reaction by visible light, followed by the separation of the nanocatalyst by
applying an external magnetic field. The TiO2-coated black gold was synthesized in a relatively simpler
novel method. Initially, a Fe3O4 sol was prepared by following a method reported elsewhere2.
Subsequently, a thin layer of gold was coated on the Fe3O4 particles3, followed by the addition of the
required amount of titanium acylate, a precursor for TiO2, which yielded a Fe3O4@Au@TiO2 composite
core-shell like structure. This material, upon heating to a temperature above 300°C converts back into
black gold along with the appearance of the crystalline anatase phase of TiO 2 as characterized by X-ray
synchrotron analysis and light absorption studies. This material is able to capture light in the entire
spectrum of near UV and visible range and has a potential for application as a magnetically separable
visible light active photocatalyst for many applications along with the recovery and removal of uranium
under visible light.
References
1. M. Dhiman, A. Maity, A. Das, R. Belgamwar, B. Chalke, Y. Lee, K. Sim, J.M. Nam, V. Polshettiwar, Chem.
Sci., 2019, 10, 6594
2. R. Massart, IEEE Trans. Magn., 1981, 17, 1247–1248.
3. C. K. Lo, D. Xiao, M. M. F. Choi, J. Mater. Chem., 2007, 17, 2418–2427
163
P-089
Functionalized ketjen black stabilized Mo and Fe single atoms for electrochemical

nitrogen reduction reaction
Ashida P. H, Sreekuttan M. Unni*
CSIR-CECRI Chennai Unit, CSIR Madras complex, Taramani, Chennai – 600113, India.
Abstract
Electrochemical nitrogen reduction reaction (E-NRR) is considered as a suitable alternative to the
conventional Haber-Bosch process for the ammonia production. Hence, it is crucial to design
electrocatalyst for E-NRR process with more activity by suppressing the hydrogen evolution reaction.
Here, we report synthesis of atomically dispersed Mo and Fe decorated on functionalized Ketjen black
annealed at 450 oC, 550 oC and 650 oC (namely KB 450, KB 550 and KB 650 respectively). From X- ray
diffraction analysis, the characteristic peaks at 2Θ = 250 and 43.60 corresponds to (002) and (100) planes
of carbon. Absence of peaks corresponding to Mo and Fe in the XRD denote the successful incorporation
of Mo and Fe in the atom level on carbon matrix. From Raman studies, the intensity of D-band is more
compared to G-band, which denotes more disordered carbon which inturn enhances the density of active
sites. E-NRR was performed in H-type cell with an electrolyte of 0.5 M LiClO4. The amount of ammonia
produced was quantified by indophenol blue method. Faradic efficiencies and ammonia yield rates were
calculated to be 20.8% and 26.5 µg h-1 mgcat -1 respectively at potential -0.49 V vs RHE (for KB 550).
References
1. Y. Liu , Z. Zhao, W. Wei, X. Jin, G. Wang, K. Li & Y. Lin, ACS Appl. Nano. Mater., 2021, 4, 13001-13009
2. R. M. Lawrence, S. M .Unni, Sustainable Energy Fuels, 2021, 5, 3765
164
P-090
2-D nanosheet of Cu2(OH)3(NO3)/ZnO composite for electrochemical CO2 reduction

Pankaj Kumar Singh
IIT Mandi
Abstract
Accumulation of anthropogenic CO in the environment is an on-going concern for rising the global
2
temperature and altering the carbon cycle[1]. Electrochemical CO reduction achieves significant
2
importance in reducing this CO concentration by converting CO into value-added products[2]. Recently

2 2
CuZn based bimetallic catalysts have got wide attention for Electrochemical CO reduction to selective
2
product. In this work, we developed a novel method to synthesize 2-D nanosheets of Cu(OH) /Zn catalyst
2
by the photochemical process. By varrying the concentration of Zn, 4 different compositions were
prepared and well characterized by the XRD, SEM, XPS ICPMS and AFM. The electrochemical activity
of all catalysts was assessed and products concentration was measured using HPLC and NMR
spectrosopy. An optimum concentration of Zn is found to be the best for electrocatalytic reduction of CO 2
and for the maximum ethanol formation.

References
1. Y. Baek et al., “Electrochemical carbon dioxide reduction on copper-zinc alloys: ethanol and ethylene
selectivity analysis,” J. Mater. Chem. A, vol. 10, no. 17, pp. 9393–9401, Mar. 2022, doi: 10.1039/d1ta10345h.
2. H. S. Jeon et al., “Operando insight into the correlation between the structure and composition of CuZn
nanoparticles and their selectivity for the electrochemical CO2 reduction,” J. Am. Chem. Soc., vol. 141, no.
50, pp. 19879–19887, Dec. 2019, doi: 10.1021/jacs.9b10709.
165
P-091
Halide-free catalytic carbon dioxide fixation of epoxides to cyclic carbonates under

atmospheric pressure
Antarip Mitra, Sourav Ghosh, Khushboo Paliwal Venkataramanan Mahalingam*
Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata,
Mohanpur, West Bengal 741246, India.
Abstract
The conversion of epoxides to cyclic carbonates utilizing CO2 is one of the efficient approaches for CO2
fixation. The atmospheric fixation of CO2 generally requires the use of halogen containing catalysts or
additionally halogen containing molecules as cocatalysts. However, due to the toxic nature of halogens,
the development of halide-free catalysts to synthesize cyclic carbonates from epoxides has gained
attention recently. In this work, a water stable aluminium-based polymeric halide free heterogeneous
catalyst has been developed to perform epoxide ring expansion to cyclic carbonates using CO2 under
atmospheric pressure in the absence of any solvent and cocatalysts. A wide range of epoxides are
successfully converted to the corresponding cyclic carbonates in quantitative yield and with high
selectivity. The developed catalyst is able to achieve gram scale synthesis of styrene carbonate from
styrene oxide under optimized conditions. The material sustained six cycles of catalysis without
compromising the catalytic activity and chemical integrity which further confirmed the heterogeneous
nature of the catalyst.
References
1. Mitra, T. Biswas, S. Ghosh, G. Tudu, K. S. Paliwal, S. Ghosh, V. Mahalingam, Sustain. Energy Fuels 2022,
6, 420– 429.
2. S. Subramanian, J. Park, J. Byun, Y. Jung and C. T. Yavuz, ACS Appl. Mater. Interfaces, 2018, 10, 9478–
9484
3. F. Zhang, S. Bulut, X. Shen, M. Dong, Y. Wang, X. Cheng, H. Liu and B. Han, Green Chem., 2021, 23,
1147– 1153.
4. X. Wu, C. Chen, Z. Guo, M. North and A. C. Whitwood, ACS Catal., 2019, 9, 1895–1906
5. T. Biswas , A. Halder , K. S. Paliwal , A. Mitra , G. Tudu , R. Banerjee and V. Mahalingam , Chem.–
Asian J., 2020, 15 , 1683 —1687
166
P-092
Co promoted enhanced biogas reforming over Ni/modified alumina

Satyajit Panda, Ankur Bordoloi*
Light Stock Processing Division, Council of Scientific & Industrial Research Indian Institute of Petroleum, (CSIR-
IIP), Dehradun, India.
Abstract
Biogas has been emphasized as a renewable energy and domestic source for syngas production via
reforming techniques to combat global warming effects and sustainability issues. Bi-reforming of
methane is one of the most suitable processes for utilizing biogas, as it provides syngas (H 2/CO) ratio of
around 2 suitable for downstream processes like Methanol and Fisher-Tropsch Synthesis1 for the
generation of liquid hydrocarbons. Metal-support interactions, surface acidity-basicity, and particle sizes
play a pivotal role in reforming reactions2,3. Herein, uniformly distributed Ni-Co/modified Al2O3
nanocomposites with a high surface area were synthesized via deposition precipitation method. Doping
of ceria and magnesia tuned the basicity of support and showed an improved oxygen storage capacity
which favored the inhabitation of coke deposition, promoted catalyst activity and stability. The Ni-Co
synergy not only provide a steady conversion rate of 96% and 89% for CH4 and CO2 respectively but also
provide a suitable and stable H2/CO ratio in syngas during 500h activity analysis.
References
1. G. A. Olah, A. Goeppert, M. Czaun, and G. K. Surya Prakash, Bi-reforming of Methane from Any Source
with Steam and Carbon Dioxide Exclusively to Metgas (CO−2H2) for Methanol and Hydrocarbon Synthesis.
J. Am. Chem. Soc. 2013;135:648−650.
2. N. H. Elsayed, D. Maiti, B. Joseph, J. N. Kuhn, Precious metal Doped Ni-Mg/ceria-Zirconia Catalysts for
Methane Conversion to syngas by low temperature Bi-reforming, Catalysis Letters 2018;148:1003– 1013
3. S. Das, S. Thakur, A. Bag, M. Singh Gupta, P. Mondal, A. Bordoloi, Support interaction of Ni nanocluster
based catalysts applied in CO2 reforming. Journal of Catalysis 2015;330:46–60.
167
P-093
Synthesis of nanomaterials for energy harvesting and storage

Siddhant Dhende, Shreya Gore*
Department of Chemical Engineering Vishwakarma Institute of Technology, Pune, India.
Abstract
Fossil fuels are the major contributors to energy generation in the world existing today, they are depleting
at a rapid and uncontrolled rate. They are major contributors to pollution, causing an unprecedented rise
in global warming, and harming mankind. To reduce this damage to the environment, the world is shifting
toward renewable energy sources like solar cells, hydrogen fuel, geothermal, and most recently
Nanotechnology. To embark on this, our research mainly focuses on the effect of Nanomaterials on
different energy harvesting techniques as well as their storage devices. The basis of our research lies in
the selection criteria of Nanomaterials for multiple kinds of energy systems, fabricating and
characterizing various oxides of nanoparticles based on their distinctive properties. Amongst the various
methods available for nanoparticle synthesis the sol-gel method proves to be the most efficient, cost-
effective, and easily achievable. Zinc acetate was been chosen as a precursor, ethanol helped for easier
separation of nanoparticles, and NaOH acts as a significant contributor determining the morphology of
Nanocrystals. The crystalline homogeneous mixture synthesis is further used to heat different fluids with
maximum efficiency. Sometimes this energy is intermittent so we need to use certain storage devices and
techniques like batteries, capacitors, and thermal energy system to store them.
References
1. Hu, Peng, et al. "Nanomaterials for solar energy harvesting and storage." Journal of Nanomaterials
2015 (2015).
2. Vishwakarma, Aditya, and Satya Pal Singh. "Synthesis of zinc oxide nanoparticle by solgel method and
study its characterization." International Journal for Research in Applied Science and Engineering
Technology 8.4 (2020): 1625-1627.
3. Narsimha, P., et al. "Synthesis of Nanomaterials for Energy Generation and Storage Applications."
Nanotechnology for Energy and Environmental Engineering. Springer, Cham, 2020. 215- 229.
4. Manidurai, Paulraj, and Ramkumar Sekar. "Nanomaterials in Energy Generation." Handbook of
Composites from Renewable Materials, Nanocomposites: Advanced Applications 8 (2017): 207.
5. Wang, Zhong Lin, and Wenzhuo Wu. "Nanotechnology‐enabled energy harvesting for self‐powered
micro‐/nanosystems." Angewandte Chemie International Edition 51.47 (2012): 11700-11721.
168
P-094
Bifunctional acid-base zirconium phosphonate for catalytic transfer hydrogenation

of levulinic acid and cascade transformation of furfural to biofuel molecules
Arjun K. Manal, Jacky H. Advani, and Rajendra Srivastava*
Department of Chemistry, Indian Institute of Technology Ropar (IITR) Roopnagar, Punjab.
Abstract
In this work, we have synthesized organic-inorganic hybrid zirconium phosphonate (ZrNPO3) and
successively employed it for the selective production of GVL via catalytic transfer hydrogenation
Levulinic acid and cascade furfural transformation. The synergistic presence of the Lewis acidity and
basicity on the catalyst was responsible for the selective produce biofuel molecules like GVL and furfuryl
ether under a mild reaction condition. The GVL selectivity was further improved using
phosphotungstic/ZrNPO3. The catalytic optimization studies were combined with poisoning studies and
the detailed Physico-chemical characterization to acquire insight into the structure-activity correlation
and reaction mechanism. Herein, a single catalyst was designed for the one-pot tandem transformation of
FFA to GVL would be highly motivating for catalysis researchers and industrialists.
References
1. A. shivhare, D. Jampaiah, S. K Bhargava, A.F Lee, R. Srivastava, and K.Wilson. ACS Sustain. Chem. Eng.
2021, 9,3379-3407.
2. Srinivasa Rao, Yogita, D. Dhana Lakshmi, P. K. Kumari, and N. Lingaiah. Sustain. Energy Fuels. 2021, 5,
3719– 3728
3. C. Xie, J. Song, B. Zhou, J. Hu, Z. Zhang, P. Zhang, Z. Jiang, and B. Han. ACS Sustainable Chem. Eng.
2016, 4, 6231–6236 Manal, J. Advani, and R. Srivastava. Chemcatchem, 2022.
https://doi.org/10.1002/cctc.202200576
169
P-095
Choline chloride based ternary deep Eutectic solvents for CO 2 capture and
electrochemical reduction to fuels
Cini M Suresh, Pravin Popinand Ingole*

Department of Chemistry,Indian Institute of Technology, Delhi, India.
Abstract:
Deep Eutectic solvents possess high CO2 solubility, wide electrochemical window, high stability and high
ability towards activating CO21, making them a potential candidate to be used as electrolyte for
electrochemical CO2 reduction. Choline chloride and ethylene glycol- based DES- ethaline have been
extensively used for CO2 capture and in the recent days they also have been exploited as solvents for
electrochemical reduction of CO2 as well 2,3. In this work we have tried to study the use of superbase- 1,8-
Diazabicyclo [5.4.0] undec-7-ene along with ethaline to order to increase its efficiency towards CO2 capture.
The superbase deprotonates the OH and NH2 functionalities making them stronger nucleophiles by helping to
create partial negative charges on these functionalities, which can assist the association of electron deficient
carbon of CO2 to these electron rich functionalities of the components of DES4. This ternary electrolyte
system constituting DES: Superbase: organic dilutant is a suitable alternative for aqueous solvents suffering
from high HER competitive reaction and low CO2 solubility. When used alongside electropolished Cu foil
the set-up was found to give CO2 reduction hydrocarbons at higher faradaic efficiency (CO at FE:21%, CH4
at FE 37% and ethene at FE 18%) at lower overpotentials (-1.6 V vs Ag wire). Furthermore, this electrolyte
system can be tuned towards selective formation of products as CO2 is an inner sphere electron transfer
reaction and hence greatly depends in the constituents at the electrode-electrolyte interface5.
References:
1. D. Yang, Q. Zhu, B. Han, The Innovation 2020, 1, 100016.

2. D. v. Vasilyev, A. v. Rudnev, P. Broekmann, P. J. Dyson, ChemSusChem 2019, 12, 1635–1639.
3. N. Ahmad, X. Wang, P. Sun, Y. Chen, F. Rehman, J. Xu, X. Xu, Renew Energy 2021, 177, 23–33.
4. Bhawna, A. Pandey, S. Pandey, ChemistrySelect 2017, 2, 11422–11430.
5. M. König, J. Vaes, E. Klemm, D. Pant, iScience 2019, 19, 135–160.
170
P-096
Hydrocyclisation of levulinic acid to γ-valerolactone over supported Ni-Co catalysts
1,2 2 1 2 2
Suresh Chandra Andola, , Ankit Pandey , Rajdeep Malik, Mukesh Kumar Poddar* , Rajaram Bal*
1
Department of Chemistry Gurukul Kangri (Deemed to be University) Haridwar 249404, Uttarakhand,
India
2
India
Abstract:
The hydrogenation of biomass-derived LA to γ-valerolactone (GVL) is a key reaction in the

development of economically realistic and carbon-efficient bio- renewable routes to chemicals and fuel
1,2
additives . Ni-Co catalysts with 30 wt% Ni were prepared by a conventional wet impregnation method
using different supports such as Al2O3, SiO2, ZrO2, and MgO. The physiochemical properties have been
characterized by XRD, N2 physisorption, H2 pulse chemisorptions, pyridine adsorbed FTIR, ammonia-
TPD, XPS and TEM techniques. Pyridine adsorbed IR patterns reveal the presence of both Lewis as
well as Brønsted acid sites which are responsible for the dehydration of the intermediate 4-hydroxy
3,4
valeric acid to yield γ-valerolactone . Ammonia-TPD profiles also showed the presence of acidic sites
in all catalytic systems, which explain the formation of the targeted product. The better activity shown
−1 −1
by the 30 wt% Ni-Co/SiO2 catalyst (signifying maximum productivity, 0.8506 kgGVL kgcatalyst h at
225 °C) is due to the presence of a greater number of surface Ni-Co species. The present work aims to
provide a continuous down flow process for 24 h of reaction at very moderate condition. It was found
that there is no significant loss or deform of catalyst even after 5 cycle of the reaction.
References:
1. N. Siddiqui. C. Pendem, R. Goyal, R. Khatun, T. S. Khan, C. Samanta, K. Chiang, K. Shah, M. A. Haider,
R. Bal, Fuel, 2022, 323(4), 124272
2. V. Mohan, C. V. Pramod, M. Suresh, K. H. P. Reddy, B. David, K. S. R. Rao, Catal. Commun.
3. 2012, 18, 89.
4. S. K. Das, M. K. Bhunia, A. K. Sinha, A. Bhaumik, J. Phys. Chem. C, 2009, 113, 8918.
5. J. C. Vedrine, A. Aurox and V. Bolis, J. Catal., 1979, 59, 248.
171
P-097
Methanol synthesis by C=O activation of carbon dioxide hydrogenation using

Cu/Zn/Zr metal oxide catalyst
Anurag Srivastava, Ankit Pandey, Mukesh Kumar Poddar*, Rajaram Bal*

Light stock processing Division, CSIR-Indian Institute of Petroleum (CSIR-IIP), Dehradun 248005,
Uttarakhand, India
Abstract:
Atmospheric carbon dioxide (CO2) level increasing dangerously at the rate of 2.11 ppm (roughly 3 ×
14
10 moles) per year from 2005 to 2014, which is one-third of the fossil carbon consumption, and
1
coincidentally the same as the world’s crude oil carbon consumption . There is worldwide attention for
the fixation of the greenhouse gas CO2. Recently, synthesis of valuable chemicals or fuels such as
2
methanol by CO2 hydrogenation has received much attention . In this work, we have synthesized the
1+/2+
Cu -Zn/ZrO2 catalyst to maximize the C1 chemical/fuel, methanol (CH3OH), with a trace amount of
CO production. CuO/ZnO catalyst, which can be modified by the addition of ZrO2 for better production
1+/2+
of methanol due to better dispersion of Cu over ZrO2 via Cu -Zn bonding, as compared to other
3, 4
catalysts like pure microcrystalline CuO, CuO/ZnO, CuO/Al2O3 and CuO/SiO2 . The reaction
+/2+ 0/+
mechanism was explored by one-electron reduction of Cu to Cu with an apparent activation
energy of 20- 26 kcal/mol. The activation energy is significantly less than other catalysts, 25 kcal/mol
5
for Cu/ZnO/SiO2 and 32 kcal/mol for polycrystalline copper, respectively . The optimum Cu insertion
to the support gives a better yield of methanol formation by C=O activation.
References:
1. C. Vogt, M. Monai, G. J. Kramer, B. M. Weckhuysen, Nature Communications, 2020 11, 6395

2. J. Rogelj, S. Michiel, P. Friedlingstein, N. P. Gillett, D. P. V. Vuuren, K. Riahi, M. Allen , R. Knutti, Nat.
Clim. Change, 2016. 6, 245
3. S. K. Sharma, T.S. Khan, R. K. Singha, B. Paul, M. K. Poddar, T. Sasaki, A. Bordoloi, C. Samanta, S.
Gupta, R. Bal, Applied Catalysis A, General, 2021, 623, 118239
th
4. B. Pommier, S. J. Teichner, Proceedings of the 9 International Congress on Catalysis, 1988, 610
5. A. Karelovic, P.Ruiz, Catal. Sci. Technol., 2015,5, 869-881
172
P-098
Towards rational WOx/Pt catalyst design for selective glycerol hydrodeoxygenation

to 1,3-Propanediol
Ajin R, Jithin John Varghese*

Department of Chemical Engineering, Indian Institute of Technology Madras, Chennai 600036, India E-
mail: [email protected], [email protected]
Abstract:
WOx/Pt is a widely used catalyst for selective hydrodeoxygenation (HDO) of glycerol to 1,3
1
propanediol (1,3-PDO) . Insufficient information on the reaction mechanism, and the role of Pt & WOx
and lack of appropriate catalyst performance descriptors make the catalyst design process highly
empirical. This computational investigation focuses on addressing some of these aspects with the help
of the Density Functional Theory (DFT) simulations. Among the relevant C-O cleavage mechanisms
2,3
proposed in the literature , the “direct mechanism” by protonation- dehydration by the Brønsted acid
on WOx, followed by hydrogenation was found to dominate under typical reaction conditions. The C-O
cleavage step was found to be the rate-limiting step and was sensitive to the strength of the Brønsted
acid sites on WOx. The strong Brønsted acid sites selectively favored secondary C-O cleavage with a
clear difference between the activation energy barriers for the primary and secondary C-O bond
cleavage, indicative of selectivity to 1,3-PDO. The Pt-WOx interface in the catalyst enabled seamless
in-situ Brønsted acid formation and ensured the Pt-WOx synergy for 1,3-PDO formation. The Brønsted
acid strength is a potential descriptor for catalyst activity and selectivity to 1,3-Propanediol and the
same can be targeted to achieve better 1,3-propanediol yield.
References:
1. Bhowmik, S., & Darbha, S, Catalysis Reviews - Science and Engineering, 2020, 63(4), 639–703.
2. Lin, Z., Liu, S., Denny, S. R., Porter, W. N., Caratzoulas, S., Boscoboinik, J. A., Chen, J. G, ACS Catalysis,
2021, 111, 8023–8032.
3. Zhou, W., Luo, J., Wang, Y., Liu, J., Zhao, Y., Wang, S., & Ma, X, Applied Catalysis B: Environmental,
2019, 242, 410– 421.
173
P-099
Cation induced enhancement in photophysical properties and catalytic activities of

Mercaptosuccinic Acid (MSA) templated silver nanoclusters
Paritosh Mahato, Saptarshi Mukherjee*

Department of Chemistry, Indian Institute of Science Education and Research Bhopal
([email protected] and [email protected])
Abstract:
Aggregation-induced emission (AIE) is a newly developed unique strategy, used for tuning the optical
1 2
properties of metal nanoclusters. The AIE phenomena is influenced by various factors like cations,
3
hydrophobicity, solvents etc. Herein, we report small molecule, mercaptosuccinic acid (MSA) templated
silver nanoclusters (AgNCs) which display a very weak emission. However, the optical properties of
2+
AgNCs are significantly changed in presence of Zn ions. The emission maxima of AgNCs is shifted
2+
from ~460 nm to ~670 nm with the enhancement of photoluminescence intensity. Zn undergoes
complexation with negatively charged AgNCs which provides rigidification to the AgNCs and restricts
its rotational and vibrational motion. Due to this fact, a weakly emissive system (AgNCs) is converted to
2+
a highly luminescent red-emitting Zn AgNCs system. The Zn induced aggregated (Zn AgNCs) have
been characterized by various microscopic techniques like TEM, SEM, and AFM. To the best of our
knowledge, this is the first attempt to establish MSA templated AgNCs- based AIE system. Furthermore,
4
we explored the utility of AgNCs and metal ions-AgNCs complex for catalytic applications. It has been
demonstrated that AgNCs act as an efficient catalyst for the reduction of para-nitrophenol (4-NP) to para-
aminophenol (4-AP). It has also been elucidated that the rate of 4-NP reduction is accelerated in presence
2+
of metal ions. Particularly, Mg ions exhibited a maximum reaction rate upon the reduction of 4-NP. The
-1
rate of 4-NP reduction in presence of AgNCs was found to be 0.23 min which has been enhanced to 0.46
-1 2+
min in the presence of Mg ions. So, the metal ions not only tune the optical properties of the AgNCs
but also improved the catalytic performance of AgNCs.
References:
1. Goswami, N.; Yao, Q.; Luo, Z.; Li, J.; Chen, T.; Xie, J. J. Phys. Chem. Lett. 2016, 7, 962−975.
2. Kuppan, B.; Maitra, U. Nanoscale 2017, 9, 15494−15504.
3. Liu, Y.; Yao, D.; Zhang, H. ACS Appl. Mater. Interfaces 2018, 10, 12071−12080
4. Mahato, P.; Shekhar, S.; Agrawal, S.; Pramanik, S.; Mukherjee, S. ACS Appl. Nano Mater. 2022, 5, 7571–
7579
174
P-100
Investigation of the role of oxygen vacancy on NiO surfaces for the selective
catalytic reduction of NO with NH3
Tamilmani Selvaraj, Jithin John Varghese*, Preeti Aghalayam*

Department of Chemical Engineering, Indian Institute of Technology Madras, Chennai, India E-mail:
Abstract:
Environmental issues associated with nitrogen oxides (NOx) necessitate the treatment of diesel engine
exhaust by one of the effective strategies for its abatement: Selective catalytic reduction with ammonia
1
(NH3-SCR). A NiRu bimetallic oxide showed higher NO conversion during NH3-SCR at 300°C than
NiO and RuO2, which are active only at higher temperatures. The mechanistic origin of this enhancement
in performance is unclear. Our ab initio thermodynamics analyses predicted the stoichiometric surfaces
of NiO to be stable in an oxygen environment. However, RuO2 incorporation into NiO is believed to
2,3
enhance the reducibility of NiO. Hence, this investigation focused on the NH3-SCR reaction network
on stoichiometric and partially reduced NiO(100) and NiO(110) surfaces using Density Functional
Theory (DFT) calculations. N2 was the major product of the NO reduction on all surfaces except the
stoichiometric NiO(100) surface, where N2O is likely due to the high activation barrier of 2.5 eV for the
N-O bond cleavage. The presence of oxygen vacancy decreased the activation barriers for N-O bond
cleavage by 1.8 eV and for N-N coupling by 1.29 eV on the NiO(100) and NiO(110) surfaces respectively.
This lowering of barrier is responsible for the enhanced low-temperature performance and also the
potentially higher N2 selectivity.
References:
1. B. Thirupathi, P.G. Smirniotis, J. Catal. 2012, 288, 74

2. P. Santhana Krishnan, N. Kaisare, K. Shivaraj Kumar, A. Preeti, J. Environ. Chem. Eng. 2022,10, 108288
3. A.M. Abdallah, R. Awad, Physica B. 2022, 629, 413651
175
P-101
Mechanistic insights on the role of different interfaces in Cu/ZnOx/ZrOx/Al2O3

catalyst from first principles multiscale modelling
1 1 2 2 2 1
Balaji C D , Ajay Koushik , Mauro Mureddu , Sarah Lai , Alberto Pettinau , Niket Kaisare * Preeti
1 1
Aghalayam *, Jithin John Varghese *
1
Carbon Capture Utilization and Storage Laboratory, Department of Chemical Engineering, Indian
Institute of Technology Madras, Chennai, India.
2
Sotacarbo S.P.A., Grande Miniera di Serbariu, Carbonia, Italy
Email: [email protected], [email protected], [email protected], [email protected]
Abstract:
1
Cu-based ZnOx/ZrOx/Al2O3 catalysts are explored for CO2 conversion to methanol owing to high activity
2
on such multifunctional catalysts which depend on the nature of interfacial sites , and the number and
3
strength of basic sites . Extensive efforts have been made to improve the catalytic performance by forming
Cu-based alloys and partially reduced metal oxides. Despite these efforts, the mechanistic understanding
of the variation of the performance of multifunctional catalysts is lacking, owing to the complexity of
catalyst structures and active sites. The present study focuses on unraveling the role of the multifunctional
sites of Cu/ZnO/ZrO2/Al2O3 catalyst in enhancing methanol yield by coupling the mechanism and
reaction pathway analysis using density functional theory (DFT) and reactor scale microkinetic
simulations. A multi-site microkinetic model developed based on extensive DFT calculations including
* * *
various pathways showed the formation of HCOO and CH3O on the Zr/Cu interface and CH3OH on
the Zn/Cu interfaces as the most abundant surface reaction intermediates. HCOO and the COOH
pathways were dominant at different reactor zones unlike only HCOO reported in the literature. A
combination of DFT and microkinetic simulations provide a better understanding of the reaction behavior
for catalyst design and reactor optimization.
References:
1. Y. Wang, S. Kattel, W. Gao, K. Li, P. Liu, J.G. Chen, H. Wang, Nature Communications, 2019, 10, 1-10
2. S. Kattel, P.J. Ramírez,J.G. Chen, J.A. Rodriguez, P. Liu, Science, 2017, 355, 1296–1299
3. P. Gao, F. Li, H. Zhan, N. Zhao, F. Xiao, W. Wei, L. Zhong, H. Wang, Y. Sun, Journal of Catalysis, 2013,
298, 51–60
176
P-102
Liquid phase oxidation of benzene by Cu nanoparticle supported on red mud
Shivani Singh, Rohit Talwan, Dr. Rajaram Bal*

Light stock processing Division, CSIR- Indian Institute of Petroleum (CSIR-IIP), Dehradun-
248005,Uttrakhand India,
Academy of Scientific and Innovative Research(AcSIR), Ghaziabad, 201002,India
E-mail: [email protected], Tel: +918077727385 [email protected] Tel: +911352525917
Abstract:
Copper based nanoparticles, which are based on the earth-abundant and inexpensive copper metal,have
generated a great deal of interest in recent years, especially in the field of catalysis. In this work, we
have synthesized Cu nanoparticle supported activated red mud as a heterogenous catalyst for oxidative
conversion of benzene to phenol. Phenol is a key intermediate in chemical industry. The formation of
Cu nanoparticles was evidenced by X-rays diffraction and transmission electron microscopy. The peaks
in the XRD pattern corresponds to the standard values of the face centered cubic(FCC) structure of
metallic copper and no peaks of other impurity crystalline phases were detected. TEM analysis shows
spherical nanaoparticles with size in the range of 2-18nm. Also, catalyst was characterized using
FTIR,SEM,TGA-DTG and BET surface area analyzer. Catalyst reducible properties was studied using
H2-TPR technique. The one-pot hydroxylation reaction, carried out at 70
℃ under optimum reaction condition, shows conversion of benzene to phenol with 87% and 100%
th
selectivity respectively.The Reusable properties of the material tested upto 4 consecutive cycles of
batch operation,indicates retention of selectivity (99%) and conversion efficency (88%) suitable for
future commercial development adhering to the principle of green chemistry.
References:
1. Manoj B. Gawande, Anandarup Goswami, Francois-Xavier Felpin, Tewodros Asefa, Xiaoxi Huang, Rafel
Silva, Xiaoxin zou, Radek Zvoril and Rajendar S.Verma Chem.Rev.2016,116,3722-3811.
2. H.Xin, A.Koekkoek, Q.Yang, R.Van Santen, C.Li, E.J.M.Hansen, Chem.Commun.48(2009)7590-7592.
3. P.Borah, A.Dutta, K.T.Nguyen, Y.Zhao, Green Chem.18(2016) 397-401.
177
P-103
Electrochemical transformation of phenol to hydroquinone using carbonaceous

electrodes
1 1,2
Mayur D. Baravkar , Bhagavatula L.V. Prasad*
1
Physical and Materials Chemistry Division, CSIR National Chemical Laboratory, Dr. Homi Bhabha
road, Pashan, Pune, Maharashtra - 411008, India.
2
Center for Nano and Soft Matter Sciences, Bangalore 562162, India.
Abstract:
Electrochemical transformation of phenols into non-toxic but useful small organic molecules is
environmentally and technologically more valuable rather than just degrading them into molecules that
have no technological relevance. Moreover, such transformations are more beneficial if water is used as
solvent. In this connection many attempts have been made to establish the process for electrochemical
transformation of phenol to useful products. However, main hurdle to this process is the performance of
electrode material which undergoes defoliation and hence loss in electro-catalytic activity. Therefore, it
is equally important to find an alternative material that is efficient as well as durable towards the
electrochemical transformation of phenol. Herewith, we are present our approach towards
electrochemical transformation of phenol keeping the electrode material sustainability and product
selectivity in view. In this work, it is established that surface modified carbonaceous electrodes having
disordered graphene-like structures and oxygen functional groups are effective electrodes for
electrochemical phenol oxidation in aqueous electrolytic solution. Our electrode material was observed
to be most efficient and durable compared to reported ones. This scheme is tested for ortho and meta
substituted phenols with electron donating and withdrawing atom/groups and is found to work well.
Preliminary results indicated that the scheme could be extended to industrially relevant molecules like
paracetamol as well. The details will be presented in the poster.
References:
1. M. Baravkar, B. Prasad,.New Journal of Chemistry, 2022, 46, 2518-2525.

2. Y. Feng, L.Yang, J. Liu, B. E. Logan, Environ. Sci.Water Res. Technol., 2016, 2, 800–831.
3. M. Sathish, R. P. Viswanath, Korean J. Chem. Eng., 2005, 22, 358-363.
4. H. Al-Maznai, B. E. Conway, J.Serb.Chem.Soc. 2011, 66, 765–784.
178
P-104
Multifunctional Single-atom Catalyst Designing For Energy Application
Bikash Kumar Mahapatra, Santosh K. Singh*

Department of Chemistry, School of Natural Sciences, Shiv Nadar Institute of Eminence, Delhi-NCR,
201314, India
E-mail- [email protected], [email protected]
Abstract:
Electrochemical generation of ammonia from nitrate waste water is a potential technique to address the
climate and energy challenges simultaneously. To fulfill the demand of ever increasing population
alternative methods of Haber-Bosch process is necessary. At the same time, NH3 is considered as a good
source of hydrogen required for the sustainable energy technologies such as fuel cell. In this work, we
have prepared the single-atom Co-N4/C catalyst by mimicking the biologically active enzyme systems
such as hemoglobin and nitrogenase where the coordinated single metal center acts as active site. In the
biological active enzymes, the active metal center stabilized by the hydrophobic protein facilitates the
stabilization of active sites as well as improves the accessibility of the reactant molecules. The
hydrophobic environment arount the CoN4/C powder catalyst was created by the surface modification.
The prepared catalyst has shown a faradaic efficiency of >90% for the NO3 to NH3 synthesis, at the same
time it also showed the ORR activity close to the state-of-the-art (Pt/C) catalyst with >50 mV of
overpotential. The prepared Co-N4/C catalyst followed the 4e- ORR pathway which is necessary for the
higher performance of fuel cell. The observed activity of the catalyst towards NO3RR and ORR shows its
potential multifunctionality towards various electrocatalytic processes.
References:
1. Ashida, Y., Arashiba, K., Nakajima, K. & Nishibayashi, Y., Nature, 2019, 568, 536–540 (2019).
2. Foster, S. L. et al. Nature Catalysis, 2018, 1, 490–500.
179
P-105
A process for preparing sorbose from fructose on solid MoO3 catalysts

1, 2 1, *
Bhawana Devi, and Sasikumar Elumalai
1
Chemical Engineering Division, DBT-Center of Innovative & Applied Bioprocessing (CIAB), Mohali
Punjab 140306
2
Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Mohali
Abstract:
Sorbose is considered one of the most important ketose rare sugar molecules in the synthesis of ascorbic
acid and the preparation of diet food supplements. A commercially available MoO3 solid catalyst
provides a better surface for the synthesis of sorbose which is also called rare sugar due to its low
abundance in nature. The influence of catalysts on the epimerization reaction is studied by varying
different experimental parameters, such as reaction time, temperature, the ratio of catalyst substrate,
reutilization of catalyst, and solvent effect, resulting in achieving a nearly 32% wt. sorbose yield and
selectivity of 54%, at optimum temperature and time. The product formation is confirmed by NMR
spectroscopy, the results clearly indicated that the product sorbose is formed via a C1-C4 hydride shift
of fructose. And the mechanism is supported by isotopic labeling NMR experiment.
Keywords: Fructose, Sorbose, epimerization
180
P-106
Ru-promoted enhanced formic acid synthesis from CO2 over Cu-Zn MOF
1,2 1,2
Jyotishman Kaishyop , Ankur Bordoloi *
1
CSIR-Indian Institute of Petroleum, Dehradun, Uttarakhand, India
2
Academy of Scientific & Innovative Research (AcSIR), Ghaziabad, Uttar Pradesh, India Email:
[email protected]
Abstract:
Worldwide demand for the chemical transformation of carbon dioxide into formic acid is growing
higher, especially as a hydrogen storage (4.3 wt.%) component that reversibly decomposes into H2 and
1
CO2 in the presence of a suitable catalyst . The direct catalytic hydrogenation of CO2 to formic acid
without base is considered more sustainable than the existing traditional routes. However, the formation
of formic acid from CO2 is an entropy-disfavored and endothermic reaction as the gaseous reactants
convert into liquid products (eq. 1).
In contrast, the aqueous (solvation) medium adjusts the reaction thermodynamics. Therefore, the
reaction becomes exothermic (eq. 2). Herein, a series of CuZn-based Metal-Organic Framework (MOF)
with different metals (Ru, Ir, Pd, Pt) has been synthesized. A comparative investigation of catalytical
activity for the direct hydrogenation of CO2 to FA was carried out in an aqueous medium. The Ru-
doped CuZn-MOF was highly active with a 12% conversion and 0.68 mmol concentrated solution of
FA. This study provides a promising outcome for direct CO2 hydrogenation and is anticipated to have
tremendous implications for CO2 conversion and MOF catalytic chemistry.
References:
1. Caiti, M., Padovan, D., & Hammond, C. ACS Catal. 2019, 9, 9188−9198
2. Sun, R., Liao, Y., Bai, S.-T., Zheng, M., Zhou, C., Zhang, T., & Sels, B. F.: Energy Environ. Sci., 2021, 14,
1247
181
P-107
A facile approach for efficient ternary polymer organic solar cell by hydrated
Vanadium Pentoxide as hole transport interfacial layer
a b a b a
Hemraj Dahiya , Rakesh Suthar ,Manish Kumar Singh , and Supravat Karak Ganesh D. Sharma *
a
The LNM Institute of Information Technology (Deemed to be University), Jaipur, Rajasthan 302031,
b
India Organic and Hybrid Electronic Device Laboratory, Department of Energy Science and
Engineering, Indian Institute of Technology Delhi, New Delhi 110016, India.
[email protected] and [email protected]
Abstract:
Organic solar cell (OSC) have attracted wide attention due to their low cost, light weight, flexibility and
[1]
solution processibility . At present, the highest power conversion efficiency (PCE) for OSCs is reached
[2] [3]
more than 19% . Although, the devices stability is a major concern . A hydrate vanadium pentoxide
(HVO) was synthesized as hole-extracting interlayer by one step method in conventional and inverted
structure of OSCs. The presence of water molecule in HVO was confirmed by thermal gravimetric
analysis. A time-consuming and laborious thermal deposition methodology is replaced here by a
straightforward solution-processing method in inverted device. Fabricated OSCs based on PM6:BTP-
eC9:PC71BM employing HVO have long stability and greater PCE in ternary than PEDOT:PSS as HTL.
In addition, the inverted structure containing PTB7-Th:PC71BM was fabricated via solution processing
rather of thermal deposition. This study provides a better device stability in compare to PEDOT:PSS as
HTL in conventional structure of OSCs. Also, provide a simple fabrication approach with improved
device performance.
References:
1. Q. Wang, Y. Xie, F. Soltani-Kordshuli, M. Eslamian, Renew. Sustain. Energy Rev. 2016, 56, 347.
2. L. Zhu, M. Zhang, J. Xu, C. Li, J. Yan, G. Zhou, W. Zhong, T. Hao, J. Song, X. Xue, Z. Zhou, R. Zeng, H.
Zhu, C.C. Chen, R. C. I. MacKenzie, Y. Zou, J. Nelson, Y. Zhang, Y. Sun, F. Liu, Nat. Mater. 2022, 21,
656.
3. X. Xu, D. Li, J. Yuan, Y. Zhou, Y. Zou, EnergyChem 2021, 3, 100046.
182
P-108
Egg-shell-derived CaO supported CuOx as an efficient nanocatalyst for c-n coupling

reactions
Anil Kumar Nallajarla, Anandarup Goswami*
Department of Chemistry, School of Applied Science and Humanities, Vignan’s Foundation for Science,
Technology and Research (VFSTR), Vadlamudi, Guntur 522 213, Andhra Pradesh, INDIA
Abstract:
Successful implementation of waste-material for various chemical processes is presently considered as
1
one of the ways to reach the desired goal of sustainability. In line with that goal, herein, we present
development of CuOx nanocatalysts, supported on egg-shell derived CaO for C-N coupling reactions.
The material is synthesized using a simple one-step calcination process from a mixture of Cu(II)-salt
2
and ground egg-shell powder and characterized using various materials characterization techniques.
For the catalytic application, C-N coupling reaction is chosen because of its wider applicability in the
3
synthesis of various industrially relevant compounds . Under the optimized reaction condition with
different substrates, the material shows good to excellent catalytic activity/selectivity. The proposed
mechanism indicates that while CuOx acts as a catalytically active species, the basic nature of CaO
helps deprotonating the substrates, thus eliminating the addition of an external base. The composite
catalytic system can be recycled multiple times without any significant loss of activity. The work shows
promise to substitute harsh reaction condition, utilization of external base/phosphine-based ligands,
4
expensive Pd-based catalytic system for traditional C-N coupling and in addition, provides a unique
way of recycling egg-shell (waste)-derived materials for sustainable organic transformations.
References:
1. Abdelbasir, S. M.; McCourt, K. M.; Lee, C. M.; Vanegas, D. C. Waste-Derived Nanoparticles: Synthesis
Approaches, Environmental Applications, and Sustainability Considerations. Front. Chem. 2020, 8, 782.
https://doi.org/10.3389/fchem.2020.00782.
2. Konwar, M.; Chetia, M.; Sarma, D. A Low-Cost, Well-Designed Catalytic System Derived from
Household Waste “Egg Shell”: Applications in Organic Transformations. Top. Curr. Chem. (J) 2019, 377
(1), 6. https://doi.org/10.1007/s41061-018-0230-3.
3. Bariwal, J.; Van der Eycken, E. C-N Bond Forming Cross-Coupling Reactions: An Overview. Chem. Soc.
Rev. 2013, 42 (24), 9283–9303. https://doi.org/10.1039/c3cs60228a.
4. Heravi, M. M.; Kheilkordi, Z.; Zadsirjan, V.; Heydari, M.; Malmir, M. Buchwald-Hartwig Reaction: An
Overview. J. Organomet. Chem. 2018, 861, 17–104. https://doi.org/10.1016/j.jorganchem.2018.02.023.
183
P-109
1-D electrospun hierarchical SnOx/WO3 nanocomposite fibers for energy storage

Vaishali Tanwar, Pravin Popinand Ingole*
Department of Chemistry, Indian Institute of Technology Delhi, Hauz Khas, New Delhi, India.
Abstract:
1-D nanostructured metal oxides with complex mesoporous structures have drawn considerable interest
1,2
in energy-related research fields . However, the foremost challenge is to develop a simple and general
3,4
approach for rational designing and precise fabrication . Herein, we report a facile process consisting
of single-spinneret electrospinning and controlled annealing to synthesize SnOx/WO3 nanocomposite. It
-1
offers remarkable electrochemical properties, specifically high specific capacitance (589 F g at a
−1
current density of 6 A g ) and good charging-discharging stability (79% capacitance retention over
5000 cycles) than the pure WO3 and SnOx, thus highlighting the importance of unique 1-D hierarchical
fibrous structure and bimetallic synergism for an improved energy storage performance. Moreover, an
all-solid-state flexible symmetric PVA/ H2SO4 supercapacitor device (0– 180° bending, 1.2 V)
–1
demonstrates an energy density (Ed =2000 mW h kg ), at Power density (Pd
–1
=1200 W kg ) with long-term durability, and 100% coulombic efficiency (up to 10,000 cycles). This
study gives insight into the design of hybrid and hierarchical nanocomposites for various other
applications such as Lithium-ion batteries, catalysis, and gas sensors.
References:
1. Umesh babu, E.; Satyanarayana, ab M.; Karkera, G.; Pullamsetty, A.; Justin, P. Mater. Adv 2022, 3, 1642.
2. K. Adaikalam, S. Ramesh, P. Santhoshkumar, H. S. Kim, H. C. Park, and H. S. Kim, Int. J. Energy Res.,
2022, 46, 4, 4494–4505.
3. Ghanem, L. G.; Sayed, D. M.; Ahmed, N.; Ramadan, M.; Allam, N. K. Langmuir 2021, 37, 5161–5171.
4. Lu, Y.; Liu, Y.; Mo, J.; Deng, B.; Wang, J.; Zhu, Y.; Xiao, X.; Xu, G. J. Alloys Compd. 2021, 853, 157271.
184
P-110
Novel solvent system for CO2 capture: Commercial perspective
Raj Kumar Das*, Ankur Verma, Bhanwar Singh, Shivanand Pai, Chiranjeevi Thota, Bharat Newalkar
BPCL-Corporate Research& Development Centre, Greater Noida, U.P., 201306, India
E-mail:[email protected]
Abstract:
Till date solvent-based carbon capture technology is most economical & commercially proven
technology to meet the net zero target globally. Despite commercial success of amine-based solvent for
CO2 capture technology, research is still in progress to reduce capital & operating cost. In general, basic
amines are corrosive, susceptible to oxidative degradation and limited by CO2 loading-high energy
demands for absorption and desorption as pH of the solvents changes while capturing CO2 from gases
mixture. Not only that high corrosion rate demands expensive metallurgy and high amine degradation
causes frequent replacement of amine solvents. To address such issues, we have developed an amine-
buffer in rotating packed-bed absorption/desorption system (RPB) that can withstand pH changes,
oxidative degradation, and metal corrosion reduces significantly. RPB is a compact system of the order
of 1/10th of conventional absorption and desorption towers. As a result, operating cost due to amine and
capital cost due metallurgy and column volume has been reduced.
Reference
Yamada, H. Amine-based capture of CO2 for utilization and storage. Polym J 53, 93–102 (2021).
185
P-111
Oxidative catalytic valorization of industrial lignin into phenolics: Effect of reaction

parameters and metal oxides
1,2 1,2 1,2# 1,2 1,2
Avnish Kumar , Bijoy Biswas , Ramandeep Kaur , Shivm Rawat , Bhavya B Krishna , Pramod
3 3 3 1, 2*
Kumbhar , Siddhartha Pal , Sasisankar Padmanabhan , Thallada Bhaskar
1
Sustainability Impact Assessment Area (SIA), Material Resource Efficiency Division (MRED), CSIR-
2
Indian Institute of Petroleum (IIP), Dehradun 248005, India Academy of Scientific and Innovative
3
Research (AcSIR), Ghaziabad-201002, India Praj Industries Limited, Pune, Maharashtra 411042, India
*Corresponding author: Ph No: +91 135 2525820, Fax No: +91 135 2660202.
E-mail address: [email protected]
Abstract:
Oxidative depolymerization of industrial lignin to convert it into a valuable phenolic compound is
explored in this study. Effects of different atmospheres and their pressure, reaction temperature,
residence time, and catalysts in methanol as solvent are demonstrated. Various acidic and metal oxide
catalyst is used in the air and oxygen environment and remarkable variations in product distribution
were observed. It was found that with commercial CeO2 maximum bio-oil yield (49 wt.%) was noticed
than employing other catalyst support in oxygen at 10bar or air at 140 °C. Maximum selectivity (70.5
area%) of acetosyringone was estimated in presence of CeO2 in atmospheric air. Transition metals such
as Cu, Co and Mn were also dopped on CeO2 support, and Co/Ceo2 observed to have excellent
selectivity towards acetosyringone with 78 area%. This catalyst also showed good activity up to four
cycles. Py-GC/MS was also employed to understand the structural differences in lignin before and after
1
the depolymerization. Different types of characterization techniques such as GC-MS, H-NMR, and FT-
IR were employed to analyze the properties of bio-oil obtained from lignin depolymerization, and
Catalyst properties were analyzed by TGA, XRD, FT-IR, BET, SEM, and TEM.
Reference
Kumar, A., Biswas, B., Kaur, R., Rawat, S., Krishna, B.B., Kumbhar, P., Pal, S., Padmanabhan, S., Bhaskar, T.,
2022. Oxidative catalytic valorization of industrial lignin into phenolics: Effect of reaction parameters and
metal oxides. Bioresour. Technol. 352, 127032. https://doi.org/10.1016/j.biortech.2022.127032
186
P-112
Mechanistic investigation of the liquid-phase partial oxidation of methane to

methanol with sulfolane as the solvent
B Sathya Sai Rengam, Jithin John Varghese*
Department of Chemical Engineering, Indian Institute of Technology Madras, Chennai, Tamilnadu,
India, 600036.
Abstract:
Partial oxidation of methane typically gives methanol and over-oxygenated products like formaldehyde,
1
formic acid, and carbon-di-oxide . The challenge is to prevent the over- oxidation of the formed
methanol. While the aqueous phase oxidation of methane with Fe- ZSM5 catalyst using H2O2 oxidant
○ ○
enabled higher selectivity of the methanol at low temperatures (50 C - 70 C) than gas phase oxidation
2,3
with oxidant O2 . The organic solvent sulfolane was found to diminish the formation of the products
4
like formic acid and carbon-dioxide even further . The role of solvent, in this case, is not well
understood. In this work, using Density Functional Theory (DFT) simulations, we identified the
favourable active sites formed by the dissociation of H2O2 on the binuclear Fe-ZSM5 catalyst in
sulfolane to be Fe- OH and Fe=O in contrast to the Fe-OOH reported for water. Both these selectively
form methanol, with the latter being much more active. The onset of over-oxidation was with methoxy
species. The formation barrier for formic acid was higher than that of methanol, proceeding only with
additional H2O2 dissociation at the active site. This explains its low selectivity, as reported in the
4
experimental literature . We conclude that methanol may not involve in over-oxidation in sulfolane as
much as in water.
References:
1. Starokon, E. V. et al. Oxidation of methane to methanol on the surface of FeZSM-5 zeolite. J. Catal. 300,
47–54 (2013).
2. Forde, M. M. et al. Partial oxidation of ethane to oxygenates using Fe- and Cu- containing ZSM-5. J. Am.
Chem. Soc. 135, 11087–11099 (2013).
3. Al-Shihri, S., Richard, C. J. & Chadwick, D. Selective Oxidation of Methane to Methanol over ZSM-5
Catalysts in Aqueous Hydrogen Peroxide: Role of Formaldehyde. ChemCatChem 9, 1276–1283 (2017).
4. Xiao, P., Wang, Y., Nishitoba, T., Kondo, J. N. & Yokoi, T. Selective oxidation of methane to methanol
with H2O2 over an Fe-MFI zeolite catalyst using sulfolane solvent. Chem. Commun. 55, 2896–2899
(2019).
187
P-113
Direct hydrogenation of CO2 to formic acid using Iridium catalysts

Supriyo Majumder,* Chanchal Samanta, Chiranjeevi Thota, Bharat Newalkar
Corporate Research & Development Centre, Bharat Petroleum Corporation Limited, Greater Noida,
India.
E-mail:[email protected]
Abstract:
Formic acid (FA) is an important commodity chemical having wide applications in the pharmaceutical,
pulp, cosmetics, food industries, agriculture, fine chemicals and organic industries. The commercial
production of formic acid is based on a two-stage process; in the first stage, methanol is carbonylated
with carbon monoxide to form methyl formate, and in a second stage, methyl formate is hydrolysed in
1
presence of a base to form formic acid.
Herein we report highly active imidazoline-amide ligated electron rich water soluble Iridium based
2
homogeneous catalyst for direct hydrogenation of carbon di oxide into formic acid. The catalyst is
synthesized in high yields in few steps from commercially available chemicals and characterized
1 13
thoroughly using H and C NMR as well mass spectroscopy. Hydrogenation of carbon di oxide was
carried out in an aqueous solution using low catalyst concentrations (25-100 µmole) at 50 °C under 1:1
mixture of CO2 and hydrogen (40 bar pressure) which resulted in 0.68 M of FA after 6 hours
corresponding to a TON of 17000. The catalyst was further studied for its activity towards FA formation
over 36 hours (Fig 1).
References:
1. W. Reutemann, and H. Kieczka, (2005) Formic acid, in Ullmann’s Encyclopedia of Industrial Chemistry,
Wiley- VCH Verlag GmbH, Weinheim.
2. S. Majumder, C. Samanta, C. Thota, B. Newalkar. Manuscript under preparation
188
P-114
Ionic covalent organic networks as bi-functional electro-catalyst

*
Pampa Jhariat, Tamas kumar Panda
Department of Chemistry, SAS, VIT, Vellore, Tamil Nadu-632014
Abstract:
The development of energy storage technologies such as fuel cells and metal-air batteries rely heavily
on bifunctional electrocatalysts that can catalyze both oxygen reduction reaction (ORR) and oxygen
evolution reaction (OER) events. Here, we report a new series of ionic covalent organic networks
(iCONs) – a series of bifunctional electrocatalyst toward the ORR and OER application. The redox
active viologen moieties inside the extended covalent network play the role of displaying high ORR and
OER activity. Among these four iCONs, vBPDP has the high ORR acivity with a half-wave potential of
0.72 V against a reversible hydrogen electrode in 1M KOH electrolyte. The combination of high
nitrogen content and inherent radical nature of vBPDP is the crucial key factor for achieving an
effective ORR catalyst through a four-electron pathway. On the other hand, vMEL demonstrated the
2
high OER electrocatalytic acitivity, with an overpotential of 320 mV at a current density of 10 mA cm ,
-1
and a Tafel slop of 109.4 mV decade in 1M KOH solution..Thus, our findings indicate that deliberate
design and accurate synthesis of metal-free ionic porous organic polymers may aid in the creation of
novel bifunctional eletrocatalysts.
References:
1. P. Samanta, P. Chandra, Dutta, A.V. Desai, S.K. Ghosh, Chem. Sci. 2018, 9 (40), 7874-7881.
2. G. Das, T. Skorjanc, S.K. Sharma, F. Gándara, M. Lusi, D.S. Shankar Rao, S. Vimala, S. K. Prasad, J.
Raya, D.S. Han, R. Jagannathan, J.C. Olsen, A. Trabolsi, J. Am. Chem. Soc. 2017, 139 (28), 9558-9565
3. P. Jhariat, P. Kumari, T. Panda, CrystEngComm, 2020,22, 6425-6443
189
P-115
Sustainable electrocatalytic ammonia synthesis under ambient conditions via

cuboidal silver phosphate
Divyani Gupta, Alankar Kafle, Sukhjot Kaur and Tharamani C. Nagaiah*
Department of Chemistry, Indian Institute of Technology Ropar (IITRPR), Rupnagar, Punjab, India.
Abstract:
According to the United Nations (UN), the world’s population will show gigantic increase in next 35
years and reach upto 9 billion to deplete earth’s natural resources. Ammonia (NH3) is the second highest
produced chemical commodity with a worldwide production of 235 million tonnes in 2019, due to its
importance in fertilizer and chemicals production, energy storage and transportation. The Haber-Bosch
process is the conventional NH3 synthesis route with disavantages like high CO2 emissions (2.16 tonne
CO2/tonne of NH3) and energy consumption (30 GJ/tonne of NH3) due to high pressure and temperature
conditions.
1
For sustainable NH3 synthesis, we require alternative green routes , wherein electrocatalytic route
holds a huge potential due to reduced energy consumption, higher selectivity and lower T & P.
However, there are a number of challenges faced during the same viz. low production rates and deprived
Faradaic efficiency in aqueous electrolytes. Therefore, the most crucial part for electrocatalytic NH3
synthesis is designing of electrocatalyst. We have utilized Ag3PO4 electrocatalyst to carry out ambient
-1 -1
NH3 synthesis and achieved a high F.E. of 26.67% and yield rate of 456.75 µg h mg at 0 V in alkaline
2, 3
electrolyte surpassing the activity and selectivity of many reported electrocatalysts till date.
References:
1. S. Ghavam, M. Vahdati, I. Wilson and P. Styring, Front. Energy Res., 2021, 9, 34.
2. X. Cui, C. Tang and Q. Zhang, Adv. Energy Mater., 2018, 8, 1800369.
3. B. Yang, W. Ding, H. Zhang and S. Zhang, Energy Environ. Sci., 2021, 14, 672-687.
190
P-116
Fe3O4 decorated paper electrode as binder-free trifunctional electrode for

electrochemical ammonia synthesis and Zn-O2 batteries
Alankar Kafle, Divyani Gupta, Tharamani C. N.*
Department of Chemistry, Indian Institute of Technology, Ropar, Punjab, India.
Abstract:
Conversion of the abundant biodegradable material into electro-active electrode material can be a good
1
asset for sustainable energy conversion and storage. Cellulose is the most abundant biopolymer with
2
high mechanical flexibility due to which it has emerged as an ideal substrate for electrode fabrication.
3
But its insulating nature is the biggest hurdle for electrode fabrication. Herein, we present a cost-
effective and green approach for the fabrication of flexible cellulose paper electrode via electroless-
electrodeposition method. One-step electroless deposition route is followed to induce conductivity into
non-conductive cellulose paper then Fe3O4 is electro-deposited over it for electrochemical activity. The
as-fabricated paper electrode illustrates promising activity and stability during the dinitrogen reduction
reaction (NRR) as well as oxygen bifunctional electrocatalysis. A Faradaic efficiency of 4.32% with
-1 -1
yield rate 245 µg h mgcat at -0.1 V during NRR is achieved whereas a low overpotential of 180 mV is
-2
required to reach 10 mA cm during OER and the ORR reaction starts at the onset potential of 0.86 V.
-2
The Zn-O2 battery assembly shows a peak power density of 81 mW cm and stability upto 35 h during
charge-discharge cycles, which can power NRR to produce NH3 under full cell conditions.
References:
1. D. Zhao, Y. Zhu, W. Cheng, W. Chen, Y. Wu and H. Yu, Adv. Mater., 2021, 33, 2000619.
2. L. Ma, Z. Bi, Y. Xue, W. Zhang, Q. Huang, L. Zhang and Y. Huang, J. Mater. Chem. A, 2020, 8, 5812-
5842.
3. Y. Yang, Q. Huang, G. F. Payne, R. Sun and X. Wang, Nanoscale, 2019, 11, 725-732.
191
P-117
DFT studies of CO2 cycloaddition with epoxide into cyclic carbonates catalysed by
zeolitic imidazole frameworks: Effect of defect centres and surface sites
1 1 2,3
Athira K. K, Jithin J. Varghese and Parasuraman Selvam
1
Carbon Capture, Utilization and Storage lab and Department of Chemical Engineering, Indian Institute
of Technology-Madras, Chennai 600 036, India
2
National Centre for Catalysis Research and Department of Chemistry, Indian Institute of Technology-
Madras, Chennai 600 036, India 3International Research Organization for Advanced Science and
Technology,
Kumamoto University, 2-39-1, Kurokami, Chuo-ku, Kumamoto 860-8555, Japan
e-mail : [email protected], [email protected]
Abstract:
Metal-organic frameworks (MOFs) such as zeolitic imidazole frameworks (ZIFs) are effective materials
for CO2 capture and show noteworthy catalytic activity owing to the presence of Lewis acidic (metal)
1,2
centres and different functional groups on the linkers. They are used as green catalysts for reactions
such as the cycloaddition of CO2 with epoxides to form cyclic carbonates which is an atom efficient and
3,4,5
non (hydrogen) reductive route for chemical utilization of CO2. Herein, we report periodic Density
Functional Theory (DFT) based analysis of ZIF catalysts such as ZIF-8, ZIF-67 and ZIF-90 for CO2
cycloaddition with propylene oxide. The aim of this work is to investigate the effect of different metal
centres (Zn and Co), linker functionalities (polar and non-polar) and different defect centres on the
surface of the catalyst for the cycloaddition reaction. The equilibrium surface structure and defect
concentration on the (011) and (002) surfaces of ZIFs were identified using ab initio thermodynamics
techniques. We explored the reaction mechanisms and energetics on the (011) and (002) surfaces of all
three ZIFs. The most stable surface from this DFT study was (011) without any defects and the cyclic
product selectivity was in the order ZIF- 90>ZIF-67>ZIF-8, which is line with experimental results.
References:
1. K. Sumida, D. L. Rogow, J. A. Mason, T. M. McDonald, E. D. Bloch, Z. R. Herm, T-H. Bae, J. R. Long,

Chem. Rev. 2012, 112, 724–781.
2. A. Phan, C. J. Doonan, F. J. Uribe-Romo, C. B. Knobler, M. O’Keeffe, O. M. Yaghi, Acc. Chem. Res.
2010, 43, 58–67.
3. G. Lee, M. Lee, Y. Jeong, E. Jang, H. Baik, J. C. Jung, J. Choi, Chem. Eng. J. 2022, 435, 134964.
4. T. Jose, G. Mathai, A. C. Kathalikkattil, R. Roshan, Y-S. Won, S. J. Cho, J-S. Chang, D-W. Park,
ChemPlusChem, 2015, 80, 715–721.
5. R. R. Kuruppathparambil, T. Jose, R. Babu, G-Y. Hwang, A. C. Kathalikkattil, D-W. Kim, D-W. Park,
Appl. Catal. B. Environmental, 2016, 182, 562–569.
192
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Stabilization of New Metal−Organic Frameworks-Based Bifunctional Catalysts for

One-Pot Tandem and Multicomponent Catalytic Reactions
Subhradeep Mistry, Anupam Sarkar, and Srinivasan Natarajan*
Department of Chemistry, Ramananda College, Bishnupur, Bankura, West Bengal, India Email:
[email protected]
Abstract:
Metal-organic framework (MOF) compounds have gained enormous attention in the last few decades
due to their tuneable and dynamic pores that can be functionalized using pre- designed organic linkers.
1
This opens the possibility of various applications including catalysis. This encouraged us to design new
bifunctional MOFs that can be employed for both Lewis acidic and basic catalysis simultaneously. We
were able to synthesize new MOFs with coordinatively unsaturated metal sites and organic linkers
containing basic functionalities and atoms with free lone pairs that can instigate Lewis acidic and basic
2-3
catalysis, respectively. These MOFs were employed as catalysts in one-pot tandem catalytic reactions,
multicomponent reactions, and some well-known organic reactions. These MOFs have shown excellent
catalytic performance and stability. Such types of catalytic processes are more atom economic, reduce
4
the number of steps of synthesis, and are efficient and straightforward. More importantly, some of
these catalyses can be carried out even in solvent-free conditions which is a greener and sustainable
route of synthesis. To sum up, by judicious selection of metal and organic linkers we were able to
incorporate desired functionality in MOFs which were profitably exploited in various types of catalytic
reactions.
References:
1. A. Bavykina, N. Kolobov, I. S. Khan, J. A. Bau, A. Ramirez, J. Gascon, Chem. Rev. 2020, 120, 16, 8468.
2. S. Mistry, A. Sarkar, S. Natarajan, Cryst. Growth Des. 2019, 19, 2, 747.
3. A. Sarkar, S. Mistry, S. Natarajan, J. Phys. Chem. C. 2021, 125, 49, 27230.
4. Y.-B. Huang, J. Liang, X.-S. Wang, R. Cao, Chem. Soc. Rev., 2017, 46, 126.
193
P-119
Covalent grafting of molecular photosensitizer and catalyst on MOF-808: effect of

pore confinement toward visible light-driven CO2 reduction in water
Sanchita Karmakar, Tapas Kumar maji*
Molecular Materials Laboratory, Chemistry and Physics of Materials Unit, School of Advanced Materials
(SAMat), Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore-560064, India. E-mail:
[email protected];
Web: www.jncasr.ac.in/tmaji
Abstract:
The photocatalytic reduction of CO2 in water using a single integrated system utilizing sunlight is the ultimate
1-8
goal for artificial photosynthesis. Here, we report the design and multistep synthesis of Zr- MBARu/Re-MOF
for photocatalytic CO2 reduction via post-synthetic linker exchange (PSE) followed by metalation on MOF-808.
2+
The simultaneous covalent immobilization of the molecular [Ru(bpy)3] photosensitizer and [Re(bpy)CO3Cl]
catalyst in the confined space of the MOF resulted in highly efficient CO2-to-CO formation with a maximum
1 1
production rate of 440 mmol g h in aqueous medium without any sacrificial electron donor (with selectivity
1
499%, QE = 0.11). In parallel, under sunlight, this assembly also produces 210 mmol g of CO in 6 h in aqueous
1 1
medium. In addition, a maximum production rate of 180 mmol g h is observed in MeCN/H2O (2:1) mixed
solvent medium with BNAH and TEOA as the sacrificial electron donor (with CO selectivity 69%, QE = 0.22).
The high surface area based Zr-MOF (MOF-808) is robust and water-tolerant, and its post-synthetically
modifiable pore surface allows us to covalently attach the molecular photosensitizer and catalyst in the confined
2+
nanospace. Covalent grafting of the [Ru(bpy)3] photosensitizer significantly enhances the lifetime of the
9
photoexcited electrons, and the proximity of the catalytic site shortens the transport distance of charge carriers
during the reaction, resulting in an efficient catalytic activity. The reaction intermediates are characterized using
in situ diffuse reflectance FT-IR (DRIFT), which is well- supported by DFT calculations, and the catalytic cycle
involving the reaction mechanism is established.
References:
1. M. D. Doherty, D. C. Grills, J. T. Muckerman, D. E. Polyansky and E. Fujita, Coord. Chem. Rev., 2010, 254, 2472-
2482.
2. S. Berardi, S. Drouet, L. Francàs, C. Gimbert-Suriñach, M. Guttentag, C. Richmond, T. Stoll and A. Llobet, Chem.
Soc. Rev., 2014, 43, 7501-7519.
3. C. S. Diercks, Y. Liu, K. E. Cordova and O. M. Yaghi, Nat. Mater., 2018, 17, 301-307.
4. B. Zhang and L. Sun, Chem. Soc. Rev., 2019, 48, 2216-2264.
5. L. Zeng, Z. Wang, Y. Wang, J. Wang, Y. Guo, H. Hu, X. He, C. Wang and W. Lin, J. Am. Chem. Soc., 2020, 142, 75-
79.
6. Z. Jiang, H. Sun, T. Wang, B. Wang, W. Wei, H. Li, S. Yuan, T. An, H. Zhao, J. Yu and P. K. Wong, Energy Environ.
Sci., 2018, 11, 2382-2389.
7. M. Rahaman, V. Andrei, C. Pornrungroj, D. Wright, J. J. Baumberg and E. Reisner, Energy Environ. Sci., 2020, DOI:
10.1039/D0EE01279C.
8. E. V. Kondratenko, G. Mul, J. Baltrusaitis, G. O. Larrazábal and J. Pérez-Ramírez, Energy Environ. Sci., 2013, 6,
3112- 3135.
9. R. Chen, J. Zhang, J. Chelora, Y. Xiong, S. V. Kershaw, K. F. Li, P.-K. Lo, K. W. Cheah, A. L. Rogach, J. A. Zapien
and C.-S. Lee, ACS Appl. Mater. Interfaces, 2017, 9, 5699-5708.
194
P-120
Catalytic pyrolysis of plastic waste over zeolite to obtain fuel grade hydrocarbons
1 1,*
Subhashini , Tarak Mondal
1,*
Department of Chemical Engineering, Indian Institute of Technology, Ropar, India.
Abstract:
In this work, we have synthesized hierarchical zeolite by hydrothermal method to carry out the catalytic
pyrolysis reaction of the waste plastic polymers and obtain smaller fractions of the hydrocarbons in the
range of fuel grade hydrocarbons. The catalytic pyrolysis reaction of the waste plastic polymers was
carried out in a fixed bed reactor made of stainless steel under inert environment in an ex-situ manner
with catalyst to waste ratio as 1:10. With the use of synthesized hierarchical
zeolite the pyrolysis temperature for various waste plastic reduced to the range of 400-450℃ as
compared with the thermal degradation, and produced desired fuel range liquid oil. The synthesized
hierarchical zeolite catalyst has also shown comparable selectivity towards the production of C9 - C20
range hydrocarbons. The obtained liquid oil components were determined by using GC-MS and the
major components were alkanes, alkenes, aromatics, ketones and a few aldehydes. Presence of these
functional groups was confirmed by the FTIR analysis of the liquid oil.
References:
1. Xu, L., Wu, S., Guan, J., Wang, H., Ma, Y., Song, K., ... & Kan, Q. (2008), Catalysis Communications,
9(6), 1272- 1276.
2. López, A., De Marco, I., Caballero, B. M., Laresgoiti, M. F., & Adrados, A. (2011). Chemical Engineering
Journal, 173(1), 62-71.
3. Elordi, G., Olazar, M., Lopez, G., Castaño, P., & Bilbao, J. (2011). Applied Catalysis B: Environmental,
102(1-2), 224-231.
4. Srivastava, R. (2018). Catalysis Today, 309, 172-188.
5. Pan, D., Su, F., Liu, H., Liu, C., Umar, A., Castañeda, L., ... & Guo, Z. (2021). ES Materials &
Manufacturing, 11(6), 3-15.
195
P-121
A light(er) approach for the selective HMF hydrogenation to BHMF without

external H2: Nothing to sacrifice
Arpna Jaryal, Battula Venugopala Rao, and Kamalakannan Kailasam*
Institute of Nano Science and Technology, Mohali Email: [email protected], [email protected]
Abstract:
The selective upconversion of 5-hydroxymethyfurfural (HMF), a biomass derived platform molecule
1-4
to value added chemicals can ease the burden on petroleum based fine chemical synthesis. The active
contribution of renewable energy sources along with low cost, environment friendly and simple reaction
systems must be adopted for better sustainability. In this context, photocatalytic selective hydrogenation
of HMF to 2,5-bis(hydroxymethyl)furan (BHMF) is achieved over P25 Titania nanoparticles
without chemical squander. Simultaneously the photo-oxidation of p- methoxybenzyl alcohol
(MeOBA) to p-methoxybenzaldehyde (MeOBaL) is carried out abolishing the need of additional
redox reagents. This system put forwards the competent employment of photogenerated excitons for the
valorization of lignocellulosic biomass to fine chemicals which is an urgent requirement for sustainable
chemical synthesis.
References:
1. Bozell, J. J.; Petersen, G. R.; Green Chem. 2010, 12, 539–554
2. Van Putten, R. J.; Van Der Waal, J. C.; De Jong, E.; Rasrendra, C. B.; Heeres, H. J.; De Vries, J.
G.; Chem. Rev. 2013, 113, 1499–1597.
3. Besson, M.; Gallezot, P.; Pinel, C.; Chem. Rev. 2014, 114, 1827–1870.
4. Pal, P.; Saravanamurugan, S.; ChemSusChem 2019, 12, 145 – 163.
196
P-122
Upgradation of sugarcane bagasse lignin: Fractionation to cyclic alcohols

production
a,c b,c b,c b,c b,d
Adarsh Kumar , Meenu Jindal , Shivam Rawat , Jitendra Kumar , Prabhakar Sripadi , Bin
a b,c*
Yang , Bhaskar Thallada
a
Bioproducts, Sciences, and Engineering Laboratory, Department of Biological Systems Engineering,
Washington State University, Richland, WA 99354, USA.
b
Academy of Scientific and Innovative Research, Kamla Nehru Nagar, Ghaziabad 201002, India.
c
Material Resource Efficiency Division, CSIR-Indian Institute of Petroleum, Dehradun 248005, India.
d
Centre for Mass Spectrometry, Department of Analytical & Structural Chemistry, CSIR-Indian
Institute of Chemical Technology, Hyderabad, India.
Abstract:
Reductive catalytic fractionation (RCF) is a new class of process that produces mono phenolics close-
to- theoretical maximum yield by preserving the biomass polysaccharides as solid residues under
hydrogen atmosphere or hydrogen transfer conditions. Herein, hydrous ruthenium oxide deposited on
carbon (HRO@C) and HY-zeolite (HRO@HYZ) catalysts are prepared and characterized by different
analytical techniques (TGA, TPD, TPR, XRD, TEM, XPS, physisorption and chemisorption). Both
catalysts have been used for the RCF of sugarcane bagasse (SCB). Effects of catalyst acidity, reaction
time, pressure, temperature, and solvent on the RCF of SCB have been investigated. Solid residues after
RCF are characterized by FT-IR, TGA, XRD, and fibertec to identify the effects of reaction conditions
on lignin-first delignification efficiency (LFDE). High acidity of HRO@HYZ favours a high degree of
LFDE (81.2 %) than HRO@C (55.8 %). However, alkyl-substituted phenolic monomers (ASPMs)
selectivity is 69 % for HRO@C and 55.7 % for HRO@HYZ, respectively, under the same reaction
conditions. NMR and GC-MS analysis indicate the presence of ASPMs in the resulted lignin bio-oil.
Moreover, fractionated lignin bio-oil is used for upgradation and the upgraded product analysis
confirms > 95 % conversion of lignin bio-oil, in which over 90 % selectivity is towards alkylated cyclic
alcohols.
References:
[1] A. Kumar, M. Jindal, S. Rawat, J. Kumar, P. Sripadi, B. Yang, B. Thallada, Upgradation of

sugarcane bagasse lignin: Fractionation to cyclic alcohols production, Catal. Today. (2022).
197
P-123
Synthesis of Metal−Organic Framework inside Silica Nanopores with Significantly

Enhanced Selectivity for Propane/Propylene Separation
1,2 1,2 1,3 1,2 1,2
Suman Dalakoti , Narendra Singh , Honore N. Wamba , Soumen Dasgupta* , Swapnil Divekar
1,2
and Aarti
1
Separation Process Division, CSIR-Indian Institute of Petroleum, Dehradun, Uttarakhand, India
2
Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, Uttar Pradesh, India
3
Department of Chemistry, Faculty of Science, University of Dschang, Cameroon Email:
[email protected]
Abstract:
Propane/propylene separation is the most energy-demanding process nowadays, and it plays a vital role
in manufacturing chemicals, fuels, and polymers. It is very challenging to separate propane propylene
mixtures due to their comparable size. Distillation is the widely used process for this separation but is
1
very energy intensive (low temperature and higher pressure) and contains many distillation trays . The
development of adsorbents for this challenging separation is an important research area of separation
science and technology. In this context, metal-organic frameworks (MOFs) play an important role
2
because of their diverse structure, high porosity, and tunable functionality . However, most reported
MOFs have low adsorption selectivity for this particular separation and also shows high heat of
adsorption, leading to poor regenerability of the adsorbents. Here, we report Cu-BTC-mesoporous
SBA-15 silica nanocomposite showing significantly improved selectivity over SBA-15. The MOF
composites with different content of SBA-15 were characterized by XRD, N2 sorption isotherm at 77K,
TEM, FT-IR, and TGA. The adsorption equilibrium isotherms for propane/propylene were taken at 298
and 308 K up to 1 bar pressure. The Ideal Adsorbed Solution Theory (IAST) is used to predict binary
selectivity from pure component isotherm data. The propane/propylene selectivity of the synthesized
composite was up to 61% higher than SBA-15.
References:
1. Wang, Y. et al. Alternatives to cryogenic distillation: advanced porous materials in adsorptive light
olefin/paraffin separations. Wiley Online Library 15, (2019).
2. Kou, J. & Sun, L. B. Fabrication of Metal-Organic Frameworks inside Silica Nanopores with
Significantly Enhanced Hydrostability and Catalytic Activity. ACS Appl Mater Interfaces 10,
12051–12059 (2018).
198
P-124
Metal-Free Catalysis: A redox-active donor–acceptor conjugated microporous

polymer for selective visible-light-driven CO2 reduction to CH4
Soumitra Barman, Ashish Singh, Faruk Ahamed Rahimi, and Tapas Kumar Maji*
Molecular Materials Laboratory, School of Advanced Materials (SAMat), Chemistry and Physics of
Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064, India
Abstract:
Achieving more than two-electron photochemical CO2 reduction process using a metal-free system is
quite exciting and challenging, as it needs proper channeling of electrons. In the present study, we
report the rational design and synthesis of a redox-active conjugated microporous polymer (CMP),
TPA-PQ, by assimilating an electron donor, tris(4-ethynylphenyl)amine (TPA), with an acceptor,
phenanthraquinone (PQ). The TPA-PQ shows intramolecular charge-transfer (ICT)-assisted catalytic
–1
activity for visible-light-driven photoreduction of CO2 to CH4 (yield = 32.2 mmol g ) with an
–1 –1
impressive rate (2.15 mmol h g ) and high selectivity (>97%). Mechanistic analysis based on
experimental results, in situ DRIFTS, and computational studies reveals that the potential of TPA-PQ
for catalyzing photoreduction of CO2 to CH4 was energetically driven by photoactivated ICT upon
surface adsorption of CO2, wherein adjacent keto groups of PQ unit play a pivotal role. The critical role
of ICT for stimulating photocatalysis is further illustrated by synthesizing another redox-active CMP
(TEB-PQ), bearing triethynylbenzene (TEB) and PQ, that shows 8-fold lesser activity for
–1
photoreduction toward CO2 to CH4 (yield = 4.4 mmol g ) as compared to TPA-PQ. The results
demonstrate a novel concept for CO2 photoreduction to CH4 using an efficient, sustainable, and
recyclable metal-free robust organic photocatalyst.
References:
1. S. Barman, A. Singh, F. A. Rahimi and T. K. Maji, J. Am. Chem. Soc., 2021, 143, 16284-16292
2. S. Karmakar, S. Barman, F. A. Rahimi and T. K. Maji, Energy Environ. Sci., 2021, 14, 2429-2440
3. P. Verma, A. Singh, F. A. Rahimi, P. Sarkar, S. Nath, S. K. Pati and T. K. Maji, Nat. Commun.,
2021, 12, 7313
4. P. Verma, F. A. Rahimi, D. Samanta, A. Kundu, J. Dasgupta, T. K. Maji, Angew. Chem Int. Ed.,
2022, 61, e202116094
5. P. Verma, A. Singh, F. A. Rahimi, T. K. Maji, J. Mater. Chem. A, 2021, 9, 13608-13614
199
P-125
Hydrogen production from bio-ethanol steam reforming process using

LaNi0.5Co0.5O3 perovskite catalyst : In-situ drift spectroscopy study
Piyush Pratap Singh, Anurag Jaswal, and Tarak Mondal*
Catalysis and Sustainable Energy Research Lab, Department of Chemical Engineering, Indian Institute
of Technology Ropar, Rupnagar, Punjab, India.
Presenting author E-mail: [email protected]
*corresponding author E-mail : [email protected]
Abstract:
Hydrogen production through catalytic steam reforming of bio-ethanol is a sustainable process to mitigate
the global warming challenges because of its carbon neutral virtue.[1–3] In this way, the present study
was performed to understand the reaction mechanism of bio-ethanol steam reforming process. The
perovskite catalyst LaNi0.5Co0.5O3 was synthesized via sol-gel method. The synthesized catalyst was
reduced to get the alloy Ni-Co/La2O3 which is highly active for the reforming reactions. [4] The steam
reforming experiments were performed in a tubular fixed bed reactor unit to get the optimum parameters
for the process. Furthermore, in-situ diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy
study was performed by passing vapors of ethanol and water mixed with Ar gas. To understand the
reaction mechanism and nature of intermediate species, the detailed analysis was carried out at different
temperatures starting from 100 to 600ºC. From the results, it is clearly evident that ethanol adsorbs on the
catalyst surface to form ethoxides which may further decompose to yield gaseous species CO, H2 and
CH4 or acetates. At high temperature, these acetates may get converted into CO and CO2 through surface
carbonates, and methane starts converting into H2 and CO2 via the methane steam reforming route.
References:
1. J. Zhang, Z. Zhong, X.M. Cao, P. Hu, M.B. Sullivan, L. Chen, Ethanol steam reforming on rh catalysts:
Theoretical and experimental understanding, ACS Catal. 4 (2014) 448–456.
https://doi.org/10.1021/cs400725k.
2. F. Liu, Y. Qu, Y. Yue, G. Liu, Y. Liu, Nano bimetallic alloy of Ni-Co obtained from LaCoxNi1-xO3 and
its catalytic performance for steam reforming of ethanol, RSC Adv. 5 (2015) 16837–16846.
https://doi.org/10.1039/c4ra14131h.
3. T. Mondal, K.K. Pant, A.K. Dalai, Mechanistic Kinetic Modeling of Oxidative Steam Reforming of
Bioethanol for Hydrogen Production over Rh-Ni/CeO2-ZrO2 Catalyst, Ind. Eng. Chem. Res. 55 (2016) 86–
98. https://doi.org/10.1021/acs.iecr.5b03828.
4. P.P. Singh, N. Nirmalkar, T. Mondal, Catalytic steam reforming of simulated bio-oil for green hydrogen
production using highly active LaNi x Co 1− x O 3 perovskite catalysts, Sustain. Energy Fuels. 6 (2022)
1063– 1074. https://doi.org/10.1039/D1SE01786A.
200
P-126
Effect of Gold Surface Plasmon Resonance (SPR) on Acidity of Acidic

Aluminosilicate
Charvi Singhvi, Vivek Polshettiwar*
Department of Chemical Sciences, Tata Institute of Fundamental Research, 400005, Mumbai
Abstract
Acidic Aluminosilicate (AAS) possesses zeolite-like Brønsted acidic sites as well as textural
properties and high mesoporosity like amorphous aluminosilicates which have weak acidic sites. AAS
catalyst has a high surface area and large pore volume. This unique combination of acidity and
accessibility is able to catalyse various challenging reactions more effectively than zeolites. [1]
However, certain reactions require even stronger acidity hence there is a need to improve the acidity
of these bronsted acidic sites in AAS. In this work, AAS coated with gold nanoparticles was
successfully prepared and tested for the photocatalysis of Styrene Oxide ring opening reaction. The
Surface Plasmon Resonance (SPR) of gold nanoparticles is known to enhance the electric field in its
vicinity. This electric near-field enhancement is hypothesized to stretch the O-H bond at the bronsted
acidic sites which can lead to stronger acidity and better catalytic activity of the catalyst. [2] Different
characterisation techniques like XRD, SEM, TEM, EDX, ICPMS, UV-DRS, BET and TGA were
employed to understand the physical and chemical properties of the catalyst. A significant
improvement in the conversion percentage and the rate of reaction was observed in Au-AAS catalyst.
Attempts were made to understand the role of gold nanoparticles and their SPR in the enhancement of
catalytic activity of the catalyst through Intensity dependent and wavelength dependent studies.
References
1. Maity, A.; Chaudhari, S., Titman, J.J.; Polshettiwar, V.; Nat Commun 11, 3828 (2020).
2. Zhang, X.; Du, A.; Zhu, H.; Jia, J.; Wang, J.; Ke, X.; Chem. Commun., 2014, 50, 13893.
201
P-127
Tunable characteristics of carbon dot exposing the dual acid sites influence the
glucose conversion to furfurals in a biphasic medium
1 1 2 2 1
Raina Sharma , Abdul Selim, Bhawana Devi, Senthil M. Arumugam, Shaifali Sartaliya, Sasikumar
2, * 1, *
Elumalai, and Govindasamy Jayamurugan
1 2
Institute of Nano Science and Technology (INST), Mohali, Punjab, India. DBT-Center of Innovative
and Applied Bioprocessing, Mohali, Punjab, India E-mail: [email protected],
[email protected]
Abstract:
The tremendous use of non-renewable fossil fuels causes global problems such as CO2 emission, hence
1
it is imperative to switch to a renewable biomass resource. The bio-based renewable platform
chemicals HMF and furfural produced from glucose and xylose, respectively can be further used to
2
synthesize liquid fuels, solvents, and polymers. But the lower abundance of xylose in lignocellulose
3
hinders the large-scale feasibility of furfural production. While glucose is a more appealing biomass-
4
derived carbohydrate as it is inexpensive and nature's most abundant monosaccharide. However, one-
pot tunable selective synthesis of both HMF and furfural using glucose is a more complicated process.
Hence, the motive of this report is to demonstrate the one pot selective conversion of glucose to HMF
and furfural by tuning the dual acidic sites (Lewis and Brønsted developed by the iron (II) and sulfonate
2+
groups, respectively) of Fe @SO3-CD nanocomposite and the biphasic solvent system using glucose.
The THF/H2O system influenced a selective formation of HMF and furfural, achieving as high as 85%
HMF (94% selectivity) in 1:2 THF/H2O and 56% furfural (90% selectivity) in 1:1 THF/H2O.
Mechanistically, the direct dehydration via the BA-mediated pathway led to HMF synthesis while LA
sites play a vital role in the significant formation of furfural. Moreover, the catalytic setup can be
5
upscaled based on the use of cheaper precursors and a facile method of catalyst preparation .
References:
1. G. J. Kramer, M. Haigh, Nature, 2009, 462, 568–569.

2. F. Martins, C. Felgueiras, M. Smitkova, N. Caetano, Energies, 2019, 12, 964.
3. T. Bennich, S. Belyazid, Sustainability, 2017, 9, 887.
4. A. Selim, R. Sharma, S. M. Arumugam, S. Elumalai, G. Jayamurugan, ChemistrySelect, 2022, 7,
e202104448.
5. R. Sharma, A. Selim, B. Devi, S. M. Murugan, S. Sartaliya, E. Elumalai, G. Jayamurugan, Biomass
Convers. Biorefin., 2022, accepted.
202
P-128
Hydrodeoxygenation of biomass-derived oxygenate mixtures over bifunctional

Pt/HY catalyst
*
Vallabh S. Prabhudesai, Ravikrishnan Vinu
Department of Chemical Engineering, and Natioanl Center for Combustion Research and Development,
Indian Institute of Technology Madras, Chennai – 600036, India
Abstract:
Catalytic Hydrodeoxygenation (HDO) is a promising process for upgradation of pyrolysis bio-oils.
Although, the HDO has been studied extensively in the past, the relevance of the effect of the one
1
chemical functionality on the others during HDO is scarcely reported. This work presents a systematic
study of the effect of three model oxygenates representing typical functionalities present in the bio-oils
viz. acetic acid (carboxylic acid), cyclopentanone (ketone), and furfural (furan ring) on the HDO of
2
guaiacol, over a bifunctional Pt/HY catalyst. The presence of acetic acid and cyclopentanone did not
show any effect on the guaiacol conversion, and the product selectivity. However, guaiacol conversion
decreased significantly due to the presence of furfural. The temperature and temporal variation studies
of the guaiacol-furfural mixture demonstrates that the furan ring opening is a key step in the conversion
of guaiacol. At relatively higher temperature of 260 °C, and at sufficiently high reaction time of 120
min, complete conversion of guaiacol was achieved as the furan ring cleavage occurred at these
operating conditions. Catalyst recyclability studies and the analysis of spent catalyst show that the
formation of coke was the main cause of the catalyst deactivation, and catalytic activity was regained by
employing calcination.
References:
1. V. S. Prabhudesai, L. Gurrala and R. Vinu, Energy and Fuels, 2022, 36, 1155–1188.
2. H. Lee, H. Kim, M. J. Yu, C. H. Ko, J. K. Jeon, J. Jae, S. H. Park, S. C. Jung and Y. K. Park, Sci. Rep.,
2016, 6, 28765.
203
P-129
Nanomaterials for pre-combustion and post-combustion CO2 capture with high

capture capacity and fast kinetics
*
Rajesh Belgamwar, Sushma Kundu, Bhushan Ganeshhpure, Saideep Singh and Vivek Polshettiwar
Department of Chemical Sciences, Tata Institute of Fundamental Research
Abstract
An excessive amount of carbon dioxide (CO2) is the primary cause of climate change, and hence, its
1-2
reduction in the Earth's atmosphere is critical to stop further degradation of the environment. In this
work, we have designed pre-combustion and post-combustion sorbents for CO2 capture.
For pre-combustion CO2 capture, we synthesized lithium silicate nanosheets (LSNs), which showed high
CO2 capture capacity (35.3 wt% CO2 capture using 60% CO2 feed gas, close to the theoretical value) with
−1 −1 3
fast kinetics (0.22 g g min ) and unprecedented stability at 650 °C. Because the LSNs have a nanosheet
morphology, CO2 is absorbable at every Li-site, providing excellent CO2 absorption. Due to the formation
of thick carbonate shells and sintering of sorbent, conventional lithium silicates rapidly lose their capture
capacity and kinetics within a few cycles; however, the LSNs remained stable for at least 200 cycles
without any loss in their capture capacity or kinetics. We proposed a new mechanism, a mixed-phase
model, to explain the unique CO2 capture behavior of the LSNs, using detailed (i) kinetics experiments
for both adsorption and desorption steps, (ii) depth-profiling X-ray photoelectron spectroscopy (XPS) of
the sorbent after CO2 capture.
For post-combustion CO2 capture, we synthesized amine-functionalized porous nanosilica for CO2
capture. Rice Husk Ash was used as a silica precursor, which is a readily available waste product, with
the goal of converting "Waste into Wealth”. The porous silica was synthesized using dissolved silicates
4
of rice husk ash, using DFNS protocol. This silica was then loaded with varying concentrations of
amines. The CO2 capture study was conducted at different temperatures (30-90°C) in the flow and the
best CO2 capture capacity found was 4.1 mmol/g .
References
1. J. G. Vitillo, B. Smit and L. Gagliardi, Chem. Rev., 2017, 117, 9521–9523.
2. V. O. Ozçelik, K. Gong and C. E. White, Nano Lett., 2018, 18, 1786–1793.
3. R. Belgamwar, A. Maity, T. Das, S. Chakraborty,C. P. Vinod, V. Polshettiwar, Chem. Sci., 2021, 12, 4825.
4. A. Maity, R. Belgamwar, V. Polshettiwar, Nature Protocols, 2019, 14, 2177–2204.
204
P-130
Influence of vanadate structure on electrochemical surface reconstruction and OER

performance of CoV2O6 and Co3V2O8
Ayan Mondal, Sagar Ganguli, Harish Reddy Inta, Venkataramanan Mahalingam*
Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata.
Abstract:
Hydrogen is increasingly envisaged as an alternative fuel due to its highest gravimetric energy density
(142 MJ/kg) and environmentally benign nature. Electrocatalytic water splitting is a promising method
1
to produce hydrogen in a sustainable manner. For efficient water splitting, the oxygen evolution
2
reaction (OER) at the anode acts as a bottleneck due to its four electron/proton coupled mechanism. In
this work, we have synthesized pure phase Co3V2O8 and CoV2O6 by thermal co-precipitation followed
by calcination and we could able to get these two different phases of cobalt vanadate by altering the
3
reaction conditions slightly. CoV2O6 showed superior electrocatalytic OER activity as it required 360
2
mV overpotential to attain the 10 mA/cm current density whereas Co V O required 510 mV
overpotential. We have investigated the factors responsible for the superior phase-dependent
electrocatalytic OER activity of two different crystalline cobalt vanadate phases and found out that
etching of vanadate moieties from the precatalyst during the electrochemical activation plays a pivotal
role. The resulting higher surface reconstruction exposes a higher number of catalytically active cobalt
sites that otherwise lay inactive due to their position in bulk. Cobalt vanadates with polymeric
vanadates (CoV2O6) showed better OER over monomeric orthovanadates (Co3V2O8) due to higher
vanadate etching.
References:
1. N.T Suen, S. F. Hung, Q. Quan, N. Zhang, Y. J. Xu, H. M. Chen, Chem. Soc. Rev., 2017, 46, 337-365.
2. S. Ganguli, S. Ghosh, S. Das, V. Mahalingam, Nanoscale 2019, 11,16896−16906
3. A. Mondal, S. Ganguli, H. R. Inta and V. Mahalingam, ACS Appl. Energy Mater. 2021, 4, 5381–5387.
205
P-131
Novel synthesis (HF-free) of MXene for electrochemical water splitting and

hydrogen evolution
Ranjit Mohili, Nitin K. Chaudhari*
Department of Chemistry, School of Technology, Pandit Deendayal Energy University, Gandhinagar,
Gujarat-382 426, India
Abstract:
MXenes denoted by a general formula M(n+1)XnTx (M, X, and T stand for transition metal,
carbon/nitrogen, and surface terminations such as OH, O, Cl, F, and etc. respectively where n = 1–3);
are electrically conductive, high electrochemically active surface area, and possess good cocatalyst
activity. In literature, MXenes is prepared using toxic HF by selectively etching out A layer from MAX
(where A= 13-16 group element) phase precursors. In this work, we report MXene synthesized by non-
toxic (HF-free) etching agent in a novel etching route. The resulting MXene has appreciably high
conductivity, numerous hydrophilic functionalities (-Cl, -OH and =O) on its surface, and remarkably
high electrocatalytic activity and durability. To obtain layered structure of MXene, detailed study into
the delamination of MXene is carried out in suitable solvent followed by SEM- EDX and TEM. The X-
Ray Diffraction study shows that at optimized etchant concentr and a ation the intensity of the 104 peak
has almost disappeared and 002 peak gets shifted to a lower angle. The MXene synthesized by this
unique and non-toxic approach shows extraordinary HER performance with an overpotential of 0.8V,
low tafel slope and excellent impedance spectra which further paves way for preparing MXene hybrids
for practical electrochemical systems.
Keywords: MXene; Two-Dimensional (2D); HF-free; Selective etching, Water splitting; Hydrogen
evolution reaction
References:
1. M. Naguib, M. Kurtoglu, V. Presser, J. Lu, J. Niu, M. Heon, L. Hultman, Y. Gogotsi, M. W. Barsoum, Adv.
Mater. 2011, 23, 4248.
2. M. Alhabeb, K. Maleski, B. Anasori, P. Lelyukh, L. Clark, S. Sin, and Y. Gogotsi, Guidelines for Synthesis
and Processing of 2D Titanium Carbide (Ti3C2Tx MXene), Chem. Mater., 2017, 29, 18, 7633–7644.
3. Jing Zhu, Liangsheng Hu, Pengxiang Zhao, Lawrence Yoon Suk Lee, Kwok-Yin Wong, Recent Advances
in Electrocatalytic Hydrogen Evolution Using Nanoparticles. Chemical Reviews 2020, 120 (2) , 851-918.
4. Nitin K Chaudhari, Hanuel Jin, Byeongyoon Kim, Du San Baek, Sang Hoon Joo, Kwangyeol Lee, MXene:
an emerging two-dimensional material for future energy conversion and storage applications, Journal of
Materials Chemistry A 2017, 5,47, 24564-24579
5. N. R. Hemanth, Taekyung Kim, Byeongyoon Kim, A. H. Jadhav, Kwangyeol Lee, & N. K.Chaudhari,
Transition Metal Dichalcogenide-Decorated MXenes: Promising Hybrid Electrodes for Energy Storage and
Conversion Applications. Mater. Chem. Front., 2021,5, 3298-3321
206
P-132
Novel ZnFe2O4/BiFeO3 (n-p) heterojunction photo-electrocatalyst for green

hydrogen production
Ajay, Pravin Popinand Ingole*
Department of Chemistry, Indian Institute of Technology Delhi (IITD), Hauz Khas, New Delhi, India.
Abstract:
PEC Water splitting deemed to be most promising way for harvesting the intermittent and highly diffuse
Solar Energy and transform it into a convenient energy form. The major challenges in PEC water
splitting are fast recombination of photo-generated excitons and sluggish surface reaction kinetics using
1
single component photoanode which conducts the water oxidation . However, the fabrication of p-n
heterojunction leads to a depletion region formation and hence, built-in electric field, that can be an
2
efficient strategy for charge carrier separation . Herein, we report the fabrication of a novel
BiFeO3/ZnFe2O4 heterojunction photoanode via layer-by-layer approach for efficient PEC water
3
splitting. BiFeO3 and ZnFe2O4 were synthesized by glycolate/glyoxylate precursor method . XRD
measurements confirm that no impurity phase is formed between the ZnFe2O4 and BiFeO3 following
o
calcination at 500 C. The photo-electrocatalytic efficiency of newly constructed heterojunction is
significantly higher than pristine ZnFe2O4 and BiFeO3. The synergy between the above efforts
significantly reduces the onset potential by 200 mV, suppresses the charge carrier recombination and
culminating in achieving a record 8% incident photon to current conversion efficiency at 1.23 V vs
RHE. This work paves a promising pathway to design and fabricate high quality semiconductor
heterojunction for improved PEC performance.
References:
1. M. A Marwat, M.Humayun, M. W. Afridi, H.Zhang, Karim Abdul, M. R. Ashtar, M.Usman, S.Waqar, H.

Ullah, C.Wang, W. Luo, ACS Appl. Energy Mater. 2021, 4 11, 12007–12031.
2. S.Li, W.Xu, L.Meng, W.Tian, L.Li, Small Sci. 2022, 2 5, 2100112.
3. D.Tomar, P.Jeevanandam, J. Alloys Compd. 2020, 843.
207
P-133
Computational analysis of Ni(0) catalyzed C-O bond cleavage in ethers: An effort

towards lignin valorization
Tejender Singh, Soumya Ghosh*
Tata Institute of Fundamental Research (TIFR), Hyderabad, Gopanpally, Hyderabad-500046,
Telangana, India.
Abstract:
Lignin is the most abundant natural resource of aromatic chemical feedstock and the second most
1
abundant source of carbon after cellulose . Alkyl / aryl linkages are highly abundant in lignin and that
2
makes them the most viable target for lignin valorization . Nickel based catalysts can reductively cleave
3
C-O bonds in alkyl / aryl ethers . The rate determining step involves the oxidative addition of C-O bond
4
to the Ni(0) . Except in the mixed alkyl-aryl ethers, the energetics of this step follows the same trend as
the bond dissociation energies of the corresponding C-O bond. In the mixed case, the product selection
is dictated by the energies of the respective transition states. We further analyze, in details, the origin of
this difference in transition state energies. Better understanding of catalytic C-O bond cleavage in alkyl
aryl ethers will help in designing the more efficient catalysts for lignin valorization.
References:
1. A. J. Ragauskas, G. T. Beckham, M. J. Biddy, R. Chandra, F. Chen, M. F. Davis, B. H. Davison, R. A.

Dixon,P. Gilna and M. Keller, Science 2014, 344, 1246843.
2. Z. Sun, B. Fridrich, A. De Santi, S. Elangovan and K. Barta, Chem. Rev. 2018, 118, 614.
3. A. G. Sergeev and J. F. Hartwig, Science 2011, 332, 439.
4. B. Sawatlon, T. Wititsuwannakul, Y. Tantirungrotechai and P. Surawatanawong, Dalton Trans. 2014, 43,
18123.
208
P-134
Calcined Chitosan for Light-mediated Fixation of CO2 into cyclic carbonates
Khushboo S. Paliwal, Antarip Mitra, Debashrita Sarkar and Venkataramanan Mahalingam*

Department of Chemical Sciences, Indian Institute of Education Science and Research Kolkata, India.
Abstract:
In this work we have designed and developed Chitosan (CS) based photocatalyst in simple one step
procedure. Chitosan heated at higher temeperature (> 300 ℃) produces heteroatom doped carbon
materials that have good photothermal conversion (light to heat energy conversion) efficiency. Upon
light illumination, calcined chitosan (Cal-CS-300) absorb light from UV-vis region of the solar
spectrum and consequently convert the light energy into heat energy through non-radiative transitions.
Range of epoxides were reacted with CO2 to synthersis different cyclic carbonates under mild reaction
conditions. Recyclability experiment and hot filtration test confirms the chemical stability and
heterogeneous nature of the material, respectively. The reaction mechanism for Cal-CS-300 mediated
cycloaddition reaction under light illumination is proposed on the basis of literature survey.
References:
1. G. Zhai, Y. Liu, L. Lei, J. Wang, Z. Wang, Z. Zheng, P. Wang, H. Cheng, Y. Dai, and B. Huang, ACS Catal.,
2021, 11, 1988−1994.
2. A. Das, R. K. Mondal, P. Chakrabortty, Sk. Riyajuddin, A. H. Chowdhury, S. Ghosh, A. Khan, K. Ghosh, Sk.
Manirul Islam, Molecular Catalysis, 2021, 499, 111253.
3. S. Gavrielides, J. Z. Y. Tan, E. S. Fernandez and M. M. Maroto-Valer, Faraday Discuss., 2019, 215, 407.
4. X. Chen, M. Wei, A. Yang, F. Jiang, B. Li, O. A. Kholdeeva, and L. Wu, ACS Appl. Mater. Interfaces, 2022, 14,
5194−5202.
5. E. A. Elgohary, Y. M. A. Mohamed, S. T. Rabie, S. A. Salih, A. M. Fekry and H. A. El Nazer, New J. Chem.,
2021, 45, 17301.
209
P-135
Effect of water on methane conversion to methanol on single atom Rh/ZrO2 catalyst

and H2O2 as oxidant
*
Pushkala Venkatesh, Jithin John Varghese
Department of Chemical Engineering, Indian Institute of Technology Madras, Chennai 600036, Tamil
Nadu, India.
Abstract:
The direct conversion of methane to methanol is a desirable alternative for the current multistage
indirect synthesis of methanol via syngas. Aqueous phase partial oxidation of methane on atomically
1,2,3,4
dispersed catalysts in metal oxide/zeolite supports, using H2O2 as the oxidant is promising. But the
role of water in the reaction is not intricately explored and remains unclear. Here we used Density
Functional Theory (DFT) simulations with a few explicit water molecules to elucidate the reaction
mechanism and the role of solvent on methane partial oxidation to methanol on single atom Rh/ZrO2
1
catalyst with H2O2. DFT simulations revealed the role of water in the formation of OOH and O as
preferential active oxygen species by dissociation of H2O2. Although methanol is the primary product
formed on Rh/ZrO2 catalyst, its over-oxidation to form CO2 was found to be inevitable due to abundant
presence of surface hydroxyls on the ZrO2 surface due to water decomposition. The formation of
CH3OOH at the Rh-OOH site was energetically unfavorable compared to methanol. But this is
1
inconsistent with the literature which reported high yield of CH3OOH during the initial phases of the
reaction. Hence, other potential catalyst surfaces were screened and methane oxidation reactions were
intricately studied.
References:
1. Y. Kwon, T. Y. Kim, G. Kwon, J. Yi, and H. Lee, J. Am. Chem. Soc., 2017, 139, 17694–17699
2. S. Bai, F. Liu, B. Huang, F. Li, H. Lin, T. Wu, M. Sun, J. Wu, Q. Shao, Y. Xu, X. Huang , Nat Commun,
2020, 11, 1-9
3. C. Hammond, M. M. Forde, M. H. Ab Rahim, A. Thetford, Q. He, R. L. Jenkins, N. Dimitratos, J. A.
Lopez- Sanchez, N. F. Dummer, D. M. Murphy, A. F. Carley, S. H. Taylor, D.J. Willock, E. E. Stangland,
J. Kang, H. Hagen, C. J. Kiely, G. J. Hutchings, Angewandte Chemie, 2012, 124, 5219-5223
4. Z. Jin, L. Wang, E. Zuidema, K. Mondal, M. Zhang, J. Zhang, C. Wang, X. Meng, H. Yang, C. Mesters, F.
S. Xiao, Science, 2020, 367, 193–197
210
P-136
Photocatalytic CO2 reduction to value-added chemicals using vacancy ordered

halide triple perovskites
Govardhan P, Dr.Raghuram Chetty*, Dr.Aravind Kumar Chandiran*
Department of Chemical Engineering, IIT Madras, Chennai India.
Abstract:
Lead-based halide perovskites have been extensively studied in the field of photovoltaics and
photocatalysis due to their outstanding optoelectronic properties. Lead is harmful to the environment, so
1
it has to be substituted with eco-friendly materials . Hence in this work, we have synthesized a series of
vacancy-ordered halide triple perovskite photocatalysts namely Cs3Bi2Cl9, Cs3Bi2Br9, Cs3Sb2Cl9, and
2
Cs3Sb2Br9 from their precursors using the hydrothermal method . The structural characterization was
carried out using XRD, Raman Spectroscopy, and SEM-EDAX. The optical properties were studied
using UV-Visible spectroscopy, Photoluminescence, and lifetime measurements. The photocatalytic
CO2 reduction activity of the catalysts was evaluated in saturated acetonitrile-water mixtures. The liquid
phase products consisted of formic acid (HCOOH) and the gas phase consisted of carbon monoxide
(CO) and Methane (CH4). The selectivity for different products is compared. The reusability of the
catalysts has been studied. The chemical and structural characterization was extensively used to study
the photocatalytic activity of the catalysts before and after the reaction to investigate the active sites
3
which help in the CO2 reduction process . Further, the composition of the catalyst was fine-tuned to
4
enhance the activity .
References:
1. Sanjib Shyamal and Narayan Pradhan. J. Phys. Chem. Lett. 2020, 11, 6921−6934.
2. Jianping Sheng, Ye He, Jieyuan Li, Chaowei Yuan, Hongwei Huang, Shengyao Wang, Yanjuan Sun,
Zhiming Wang, and Fan Dong. ACS Nano 2020, 14, 13103−13114.
3. Sumit S. Bhosale, Aparna K. Kharade, Efat Jokar, Amir Fathi, Sue-min Chang, and Eric Wei-Guang
Diau.J. Am.Chem. Soc. 2019, 141, 20434−20442.
4. Daofu Wu, Benjun Huo, Yanyi Huang, Xusheng Zhao, Jiayu Yang, Ke Hu, Xinchun Mao, Peng He, Qiang
Huang, and Xiaosheng Tang, Small 2022, 18, 2106001.
211
P-137
A comparative assessmment of hybrid materials for CO2 capture: Synthesis,

characterization, and atmospheric and high pressure CO2 uptake evaluation
1 2 2 1
Anshu Bhadauria , Rajesh Belgamwar , Vivek Polshettiwar , Rajnish Kumar
1
Department of Chemical Engineering, Indian Institute of Technology Madras, Chennai – 600036, India
2
Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), Mumbai- 400005,
India
[email protected]
Abstract:
Excessive emissions of greenhouse gases especially CO2 are responsible for the various environmental
problems. As a consequence, a large anthropogenic CO2 sources globally are in need of an urgent
implementation of CO2 capture techniques. Among the several technologies available for the separation
and/or capture of CO2, separation via adsorption is impressive and efficient, as it can remove CO2 in its
pure form with relatively low energy consumption. A wide variety of solid sorbents have been tested.
Typically, the CO2 adsorption capacity of any sorbent is depicted by the surface area, and pore size
distribution of the sorbents. Therefore, a discovery of new sorbents with such properties has become a
research hotspot. Considering the competing morphological properties and ease of functionalization,
1
silica-based materials such as Dendritic Fibrous Nano-silica (DFNS) , MCM-41 and SBA-15 have
2
emerged as excellent sorbents for CO2 capture. Herein, a comparative assessment of aforementioned
materials with and without amine functionalization is studied. The thorough evaluation of these
materials for the CO2 capture at atmospheric and high pressure is carried out using gravimetric sorption
3,4
analyzer and a inhouse designed batch reactor. The effects of process parameters such as temperature,
pressure and the sorbent loading on the CO 2 uptake capacity is studied. The functionalized sorbents
demonstrated superior performance owing to the presence of amine moieties.
References:
1. A. Maity, R. Belgamwar and V. Polshettiwar, Nat. Protoc., 2019, 14, 2177–2204.

2. U. Patil, A. Fihri, A. H. Emwas and V. Polshettiwar, Chem. Sci., 2012, 3, 2224–2229.
3. T. Sakpal, A. Kumar, Z. M. Aman and R. Kumar, Energies, 2019, 12, 1–16.
4. M. E. Casco, M. Martínez-Escandell, J. Silvestre-Albero and F. Rodríguez-Reinoso, Carbon N. Y., 2014,
67, 230–235.
212
P-138
Co3O4/CoS2 heterostructure: Synergistic Interfacial Coupling Induced Superior

Electrochemical Performance for Hydrazine Oxidation reaction
Viplove Mishra, Athma E Praveen, Ayan Mondal,and Venkataramanan Mahalingam*
Department of Chemical Sciences, Indian Institute of Science Education and Research Kolkata,
Mohanpur, West Bengal 741246, India
Abstract:
Energy saving hydrogen production by replacing OER with hydrazine oxidation calls for the
development of high performance electrocatalyst for hydrazine oxidation reaction. Herein, we have
fabricated the Co3O4/CoS2 heterostructure by using a facile and low-temperature hydrothermal
technique. The structural analyses using physical characterization techniques confirm the significant
interfacial interaction and coexistence of Co3O4 and CoS2 phases. The developed Co3O4/CoS2
heterostructure shows superior electrochemical HzOR performance compared to pristine Co3O4 and
2 2
CoS2 phases and can deliver a current density of 10 mA/cm and 100 mA/cm at 240 mV and 340 mV,
2
respectively. In addition, it can deliver a high current density of 300 mA/cm @ 480 mV without using
any electrochemically active and expensive metallic substrate such as Nickel foam, Cobalt foam, etc.
Furthermore, for overall hydrazine-assisted water splitting by Co3O4/CoS2 heterostructure required a
cell potential of 0.49 V for overall hydrazine assisted water splitting (OHzWS), which is 1.35V less
2
than the overall conventional water splitting (10 mA/cm @ 1.84 V). Additionally, the heterostructure
catalysts is electrochemically stable up to 3000 continuous cycles.
References:
1. Tang, C.; Zhang, R.; Lu, W.; Wang, Z.; Liu, D.; Hao, S.; Du, G.; Asiri, A. M.; Sun, X. Energy-Saving
Electrolytic Hydrogen Generation: Ni2P Nanoarray as a High-Performance Non-Noble-Metal
Electrocatalyst. Angew. Chemie Int. Ed.2017, 56 (3), 842–846.
2. Xu, X.; Wang, T.; Lu, W.; Dong, L.; Zhang, H.; Miao, X. CoxP@Co3O4Nanocomposite on Cobalt Foam
asEfficient Bifunctional Electrocatalysts for Hydrazine-Assisted Hydrogen Production. ACS Sustain. Chem.
Eng.2021, 9 (12), 4688–4701.
3. Liu, X.; He, J.; Zhao, S.; Liu, Y.; Zhao, Z.; Luo, J.; Hu, G.; Sun, X.; Ding, Y. Self-Powered H2 Production
with Bifunctional Hydrazine as Sole Consumable. Nat. Commun. 2018 91 2018, 9 (1), 1–10.
4. Chen, S.; Wang, C.; Liu, S.; Huang, M.; Lu, J.; Xu, P.; Tong, H.; Hu, L.; Chen, Q. Boosting Hydrazine
Oxidation Reaction on CoP/Co Mott-Schottky Electrocatalyst through Engineering Active Sites. J. Phys.
Chem. Lett.2021, 12 (20), 4849–4856.
213
P-139
Synergetic performance of Ru incorporated Co/MgO-Al2O3 supported catalysts in

tri-reforming of methane: a CCU approach
K D P Lakshmee Kumar*, B Neelam Naidu, V V D N Prasad, N Viswanadham
GTL Area, Light Stock Processing Division, CSIR-Indian Institute of Petroleum (IIP), Dehradun, India.
Abstract:
Tri-reforming of methane (TRM) to produce synthesis gas evolved as an efficient approach for curbing
major GHG emissions by the better utilization of industrial flue gases containing high amounts of CO2
1, 2
along with H2O and O . The present work explores the catalytic efficiency of Ru incorporated Co-
based catalysts supported on MgO-Al2O3 mixed oxide for TRM to achieve higher conversions of CH4
3
and CO2 for increasing the product syngas yield . The activity results revealed that the incorporation of
Ru over the catalyst Co/MgO-Al2O3 increased the CO2 conversion and helped improve the long-term
stability of Co-based catalysts in TRM. This can be attributed to the bimetallic synergy between Co and
4
Ru and to the hydrogen spillover phenomenon of Ru , which improved the catalytic activity even in the
presence of oxidants H2O and O2. The optimum catalytic performance of feed conversion CH4 95.2 %
o -1 -1
and CO2 91.9 % with syngas H2/CO ratio 1.23 was obtained at 800 C, GHSV 4000 ml gcat h under
the feed composition of CH4:CO2:H2O:O2 = 1:0.75:0.75:0.1 over the Co-Ru catalyst in TRM process.
Moreover, the addition of promoters La and Ce further enhanced the coke resistance via coke
5
gasification reactions .
References:
1. C. Song, W. Pan, Catal. Today, 2004, 98, 463-484.

2. C. Song, W. Pan, S. T. Srimat, J. Zheng, Y. Li, Y.-H. Wang, B.-Q. Xu, Q.-M. Zhu, in Stud. Surf. Sci.
Catal., eds. S.-E. Park, J.-S. Chang, K.-W. Lee, Elsevier, 2004, vol. 153, pp. 315-322.
3. K. D. P. L. Kumar, B. N. Naidu, B. Sarkar, P. Mondal, K. Ghosh, V. V. D. N. Prasad, J. Environ. Chem.
Eng.,2021, 9, 105949.
4. C. Gennequin, S. Hany, H. L. Tidahy, S. Aouad, J. Estephane, A. Aboukaïs, E. Abi-Aad, Environ. Sci.
Pollut. Res.,2016, 23, 22744-22760.
5. B. N. Naidu, K. D. P. L. Kumar, H. Saini, M. Kumar, T. N. Kumar and V. V. D. N. Prasad, J. Environ.
Chem. Eng.,2022, 10, 106980.
214
P-140
Development of conventional kinetic models for CO2 to methanol from dft- based
microkinetic models
Ajay Koushik V, Balaji C D, Jithin John Varghese, Niket Kaisare*, Preeti Aghalayam*
Department of Chemical Engineering, Carbon Capture Utilization and Storage (CCUS) Laboratory,
Indian Institute of Technology Madras, Chennai, India.
Abstract:
Exploring the role of different components in multi-component catalysts is crucial for catalyst design
and reaction engineering. Density Functional Theory (DFT)-based microkinetic models are helpful in
1
mechanistic understanding of the reaction on such catalysts. The kinetic parameters in these cases have
physical meaning as they are estimated using DFT. However, industrial reactors are designed using
2
conventional kinetic models that are fitted to specific sets of experiments and are computationally
3
convenient to use compared to microkinetic models. The fitted parameters in case of conventional
kinetic models do not necessarily have a clear physical meaning, and there is a possibility that multiple
sets of kinetic parameters may fit the experimental data. To get the best of the conventional
(computationally simpler) and the microkinetic models (meaningful kinetic parameters), we present a
strategy to obtain a closed-form rate expression via a posteriori reduction of the microkinetic model.
The kinetic model so obtained have the overall kinetic parameters obtained from DFT. A DFT-based
microkinetic model for CO2 to methanol on ternary Cu/ZnO/ZrO2/Al2O3 catalyst was developed and
validated against both in-situ and fixed-bed reactor experiments. This model was formally analyzed and
4
reduced. The obtained kinetic expression can be conveniently used in reactor design and plant-scale
5
simulations.
References:
1. Z. Zhou, B. Qin, S. Li, Y. Sun, Phys. Chem. Chem. Phys. 2021, 23 (3), 1888–1895.
2. K. M. Vanden Bussche, G. F. Froment. J. Catal. 1996, 161 (1), 1–10.
3. G. Leonzio, E. Zondervan, P. U. Foscolo, Int. J. Hydrogen Energy 2019, 44 (16), 7915–7933.
4. A. Mirvakili, A. Bakhtyari, M. R. Rahimpour, Appl. Therm. Eng. 2018, 128, 64–78.
5. F. Bisotti, M. Fedeli, K. Prifti, A. Galeazzi, A. Dell’Angelo, F. Manenti, Ind. Eng. Chem. Res. 2022, 61 (5),
2206– 2226.
215
P-141
Influence of Group III-A elements on structure and performance of Cu/ZnO/ZrO2

catalyst for CO2 hydrogenation
Vivek Kumar Shrivastaw, Ankur Bordoloi*
CSIR-Indian Institute of Petroleum, Dehradun, Uttarakhand, India & Academy of Scientific &
Industrial Research, Ghaziabad, Uttar Pradesh, India E-mail: [email protected],
[email protected]
Abstract:
This work aims to synthesize the set of Cu/ZnO/ZrO2 in a single step via evaporation-induced self-
assembly (EISA) method with metal oxide (M2O3 M = B, Al, Ga, In) for structural tuning. The prepared
catalysts have been examined for their reactivity and durability for methanol production by CO2
hydrogenation. The consequence of additive metal oxide (M2O3) on catalysts' textural properties and
catalytic activity are explained via several characterization tools such as BET surface Area, H2- TPR,
XRD, XPS, Raman and TGA-DTG. The outcome of this study showed that the conversion of CO2 and
selectivity of methanol for Cu/ZnO/ZrO2 catalysts had a significant effect on additive metal oxide via
tailoring the important textural properties of the catalysts such as the specific surface area of metallic
copper, reducibility of catalysts, particle size, presence oxygen vacancy and basicity of catalyst surface.
Finally, the additive In2O3 shows 81.8% MeOH selectivity among all metal oxide additives by
optimizing the textural properties above.
References:
1. K. Li and J. G. Chen, “CO2 Hydrogenation to Methanol over ZrO2 - Containing Catalysts : Insights into
ZrO2 Induced Synergy,” ACS Catal., vol. 9, pp. 7840–7861, 2019
2. X. Guo, D. Mao, G. Lu, S. Wang, and G. Wu, “Short Communication CO2 hydrogenation to methanol over
Cu / ZnO / ZrO2 catalysts prepared via a route of solid-state reaction,” CATCOM, vol. 12, no. 12, pp.
1095–1098, 2011.
3. P. Gao, F. Li, F. Xiao, N. Zhao, N. Sun, and W. Wei, “Catalysis Science & Technology” Preparation and
activity of Cu/Zn /Al/Zr catalysts via hydrotalcite- containing precursors for methanol synthesis from CO2
hydrogenation,” pp. 1447–145
4. Jiang, X.; Nie, X. W.; Wang, X. X.; Wang, H. Z.; Koizumi, N.; Chen, Y. G.; Guo, X. W.; Song, C. S.
Origin of Pd- Cu bimetallic effect for synergetic promotion of methanol formation from CO2
hydrogenation. J. Catal. 2019, 369, 21−32.
5. Kattel, S.; Ramirez, P. J.; Chen, J. G.; Rodriguez, J. A.; Liu, P. CATALYSIS Active sites for CO2
hydrogenation to methanol on Cu/ZnO catalysts. Science 2017, 355, 1296−1299
216
P-142
Electrochemical CO2 reduction using Sn-based Metal-Organic Framework

Deep Lata Singh, G. Ranga Rao*
Department of Chemistry and DST Solar Energy Harnessing Centre (DSEHC), Indian Institute of
Technology Madras, Chennai-600036, India E-mail: [email protected], [email protected]
Abstract:
CO2 conversion by electrochemical approach to obtain high value-added chemicals and fuels is
regarded as a promising strategy to recycle it and simultaneously addressing the global energy demand.
During the electrochemical CO2 reduction (ECR), hydrogen evolution reaction (HER) is a competing
reaction in aqueous electrolyte medium, and hence highly efficient and selective electrocatalytic process
is crucial for CO2 reduction. Metal-organic frameworks (MOFs) have recently been proved as
promising materials for energy storage by electrochemical process. Because of their high porosity, high
surface area, excellent chemical stability and unique morphology, these materials are potential catalysts
for ECR to value-added chemicals. The metal centers in MOFs are responsible for the desired ECR
product. Formic acid (HCOOH) is a two-electron reduction product of CO2 reduction which is used in
various applications. We have employed Sn-MOF to obtaine formic acid as a major product. The
synthesis of Sn-MOF is carried out at high temperature in a Teflon lined autoclave and the ECR
experiment is performed in a two chambered H-cell separated by proton exchange nafion membrane.
Primilinary analysis of products by ion chromatography confimed the formation of formic acid as a
major product.
References:
1. P. Sarawade, H. Tan, V. Polshettiwar, ACS Sustainable Chem. Eng., 2013, 1, 66−74.

2. S. Nitopi, E. Bertheussen, S. B. Scott, X. Liu, A. K. Engstfeld, S. Horch, B. Seger, I. E. L. Stephens, K.
Chan, C. Hahn, J. K. Norskov, T. F. Jaramillo, I. Chorkendorff, Chem. Rev., 2019, 119, 7610-7672.
3. Z. Yang, C. Yang, J. Han, W. Zhao, S. Shao, S. Li, H. Gao, H. Xie, X. Zhang, J. Mater. Chem. A, 2021, 9,
19681- 19686.
4. T. Tsujiguchi, Y. Kawabe, S. Jeong, T. Ohto, S. Kukunuri, H. Kuramochi, Y. Takahashi, T. Nishiuchi, H.
Masuda,M. Wakisaka, K. Hu, G. Elumalai, J-I. Fujita, Y. Ito, ACS Catal., 2021, 11, 3310-3318.
5. D. Bagchi, S. Sarkar, A. K. Singh, C. P. Vinod, S. C. Peter, ACS Nano, 2022, 16, 6185−6196.
217
P-143
Oxidative dehydrogenation of ethane to ethylene with carbon dioxide as soft

oxidant over Molybdenum Carbide catalysts
1 1 1 2
Ashwajeet Subhash Gajbhiye , Niket S. Kaisare , Jithin John Varghese and Parasuraman Selvam
1
Department of Chemical Engineering, Indian Institute of Technology Madras (IIT M), Chennai, India.
2
Department of Chemistry & NCCR, Indian Institute of Technology Madras (IIT M), Chennai, India. E-
mail: [email protected], [email protected], [email protected], [email protected]
Abstract:
Oxidative dehydrogenation (ODH) is an attractive catalytic route to produce ethylene from ethane as the
former is a key building block for various petrochemicals. However, the key challenge is to maximize
selective dehydrogenation of alkanes, while avoiding complete oxidation and C-C bond cleavage.
Hence, CO2 is employed as a mild oxidant to potentially limit the over-oxidation of the alkanes. Due to
1
its oxophilic nature , Mo2C is an excellent catalyst for CO2 activation and is known to activate the C-H
bond of alkanes with ease. Hence, the hexagonal form of Mo2C is used as a catalyst for the ODH of
2
ethane. Bulk Mo2C and mesoporous silica (SBA-15) supported Mo2C catalysts were prepared using
ammonium heptamolybdate (AHM) as the molybdenum source by temperature- programmed reduction
(TPR) technique using a CH4–H2 mixture. Supported catalyst exhibited much higher surface areas than
the bulk catalyst. The catalytic performance of the bulk and supported catalysts were evaluated in a
fixed bed reactor in the temperature range of 550-650°C with ethane to CO2 ratio of 1:1 at 1 atm
pressure. The catalytic performance and kinetics of both the bulk and supported catalysts were
examined in ODH of ethane to ethylene using CO2 as an oxidant.
References:
1. M. Sullivan, A. Bhan, Journal of Catalysis, 2018, 357, 195–205

2. W. Marquart, M. Claeys, N. Fischer, Faraday Discussions, 2021, 230, 68-86
218
P-144
Understanding selective sorption of CO2 from mixtures by zeolitic imidazolate

framework using molecular simulations
Yacham Ashok, Jithin J. Varghese and Tarak K. Patra*,
Department of Chemical Engineering and Carbon Capture Utilization and Storage Lab, Indian Institute
of Technology Madras, Chennai, Tamil Nadu, 600036, India.
Email: - [email protected], [email protected]
Abstract:
In this work, Zeolitic Imidazolate Frameworks (ZIFs), namely ZIF-8 and ZIF-90, a sub class of Metal
Organic Frameworks (MOFs) were employed as adsorbents to study the selective CO2 capture from
mixtures. Grand Canonical Monte Carlo (GCMC) simulations were performed at 298 K for pressures
up to 40 bar for pure CO2 and its binary mixtures of different compositions representative of practical
conditions. The Universal Force Field (UFF) [1, 2] was used to model ZIFs and the interactions of
adsorbent-adsorbate were expressed using Lennard Jones (LJ) potential with overall cut-off of 14 Å to
calculate nonbonded Van Der Waals and long-range electrostatic interactions. Pure CO2 adsorption
isotherms revealed that ZIF-90 shows nearly four times higher uptake than ZIF-8.[3] This could be due
to interaction of polar CHO functionality of the linker and CO2 as seen in our Density Functional
Theory (DFT) simulations. The selectivity for CO2 adsorption from mixture increase with CO2
concentration in the mixtures and with pressure. we calculated selectivity using pure component
adsorption capacity as in the case of Ideal Adsorption Solution Theory (IAST) and compared with
obtained mixture simulation selectivity.[4] The combination of GCMC and DFT simulations gave
microscopic insights at molecular scale to understand the selective carbon dioxide adsorption in both
ZIF-8 and ZIF-90.
References:
1. A. K. Rappe, C. J. Casewit, K. S. Colwell, W. A. Goddard, and W. M. Skiff, “UFF, a full periodic table
force field for molecular mechanics and molecular dynamics simulations,” J. Am. Chem. Soc., vol. 114, no.
25, pp. 10024–10035, Dec. 1992, doi: 10.1021/ja00051a040.
2. X. Wu, J. Huang, W. Cai, and M. Jaroniec, “Force field for ZIF-8 flexible frameworks: atomistic
simulation of adsorption, diffusion of pure gases as CH4, H2, CO2 and N2,” RSC Adv., vol. 4, no. 32, pp.
16503–16511, Apr. 2014, doi: 10.1039/C4RA00664J.
3. J. Hu, Y. Liu, J. Liu, and C. Gu, “Effects of water vapor and trace gas impurities in flue gas on CO2 capture
in zeolitic imidazolate frameworks: The significant role of functional groups,” Fuel, vol. 200, pp. 244–251,
Jul. 2017, doi: 10.1016/J.FUEL.2017.03.079.
4. A. Battisti, S. Taioli, and G. Garberoglio, “Zeolitic imidazolate frameworks for separation of binary
mixtures of CO2, CH4, N2 and H2: A computer simulation investigation,” Microporous Mesoporous
Mater., vol. 143, no. 1, pp. 46–53, Aug. 2011, doi: 10.1016/J.MICROMESO.2011.01.029.
219
P-145
Polydopamine: An amine oxidase mimicking sustainable catalyst for the synthesis

of nitrogen heterocycles under aqueous conditions
Shweta A. Pawar, Ayushi N. Chand, A. Vijay Kumar*
Department of Chemistry, Institute of Chemical Technology (ICT), Mumbai, India.
Abstract:
In this work, the organocatalytic activity of polydopamine (PDA) as an amine oxidase mimic is
showcased for the synthesis of nitrogen heterocycles such as benzimidazoles, quinoxalines,
quinazolinones, in addition to the oxidation of secondary amines under aqueous conditions. PDA
demonstrated excellent efficiency on par with the existing regime of metal/non-metal based catalysts
under metal-free and additive-free conditions. The mechanistic studies provided evidence for an oxygen-
mediated non-radical pathway via a quinone-imine step. The synthesis occurs through activation of the
amines by the catechol-quinone moieties of PDA, followed by transamination and an oxidative
cyclization of these benzylic (or) aryl ethyl imine adducts with o-phenylenediamines and 2-
aminobenzamides akin to the amine oxidase enzymes found in nature. Moreover, PDA was found to be
easily recoverable and reusable up to three cycles without any loss of catalytic activity. The efficacy of
catalyst PDA for this protocol in the presence of benign oxidant molecular oxygen in combination with
green solvent water renders it to be an interesting biomimetic material from a sustainability point of view.
References:
1. H. Lee, S. M. Dellatore, W. M. Miller, P. B. Messersmith, Science, 2007, 318, 426–430

2. B. J. Brazeau, B. J. Johnson, C. M. Wilmot, Arch. Biochem. Biophys. 2004, 428, 22−31
3. M. Largeron, Org. Biomol. Chem. 2017, 15, 4722−4730
4. A. Kunfi, G. London, Synthesis, 2019, 51, 2829–2838
5. S. A. Pawar, A. N. Chand, A. V. Kumar, ACS Sustainable Chem. Eng. 2019, 7, 8274–8286
220
P-146
Cobalt-Based Zeolitic Imidazolate Framework Derived Materials As Oxygen

Evolution Reaction Catalysts For Seawater Electrolysis
Sana Fathima T. K., Anamika Ghosh, Sundara Ramaprabhu
Alternative Energy and Nanotechnology Laboratory, Indian Institute of Technology Madras, Chennai-
36 E-mail: [email protected], [email protected], [email protected]
Abstract:
Seawater electrolysis is a promising approach to generate clean hydrogen without relying on fresh
water. Although abundant, the use of seawater is hindered by the undesirable chlorine evolution reaction
(CER) occurring at the anode and its corrosive effects. This necessitates the development of highly
selective oxygen evolution reaction (OER) catalysts. In the present work, a zeolitic imidazolate
framework (ZIF67) derived cobalt-cobalt oxide-carbon composite is explored as an OER electrocatalyst
for seawater splitting. The composite was synthesized by a simple carbonization treatment. For
comparison, catalysts were also prepared by varying the synthesis parameters. All the synthesized
materials were characterized by X-Ray Diffraction (XRD), Scanning Electron Microscope (SEM),
Fourier Transform Infrared (FTIR) Spectroscopy, UV-Vis Spectroscopy, Thermogravimetry Analysis
(TGA), and Raman spectroscopy. The highly porous nature, nitrogen-doped hollow structure, and the
vast number of active sites of the ZIF67-derived materials enhanced its OER selectivity over CER. For
the electrolysis measurements, a carbon substrate is utilized in contrast to metallic foam substrates,
owing to its conductive network and anti-corrosive nature. Remarkably low overpotentials (~340 mV at
-2
10 mA cm ) were obtained in alkaline seawater. The present catalyst exhibited excellent stability over
2
50 hours while operating at 10 mA/cm in seawater.
References:
1. Mohammed-Ibrahim, Jamesh, and Harb Moussab, Materials Science for Energy Technologies, 2020, 3,
780-807.
2. Yu, Luo, Jiayong Xiao, Chuqiang Huang, Jianqing Zhou, Ming Qiu, Ying Yu, Zhifeng Ren, Ching-Wu
Chu, and Jimmy C. Yu, Proc. Natl. Acad. Sci., 2022, 119, e2202382119.
3. Zhang, Fanghao, Luo Yu, Libo Wu, Dan Luo, and Zhifeng Ren, Trends Chem., 2021, 3, 485-498.
221
P-147
Self-activated ultra-microporous carbon aerogels from chitosan for CO2 adsorption

under ambient conditions
a,b a b a
Soniya Mariya Varghese , Additi Roy Chowdhury , Dali Naidu Arnepalli , G. Ranga Rao *
a b
Department of Chemistry and Department of Civil Engineering, Indian Institute of Technology
Madras, Chennai 600036, India
Abstract:
Carbon capture and utilization is the most feasible solution proposed for tackling excessive CO2
1
emission. Among the currently studied materials, carbon materials derived from biomass designed for
2
selective CO2 capture offer a sustainable way forward. In carbon materials the microporous pore
volume (< 7 nm) is seen to be more crucial than a surface area for CO2 adsorption as well as selectivity.
3
In this work, we have synthesized self-activated ultra-microporous carbon materials with pore size < 7
nm for selective adsorption of CO2. Chitosan aerogels are first synthesized from chitosan, urea, and
citric acid by hydrothermal method. These are further carbonized under N2 flow to obtain N-doped
carbon with narrow pore size distribution. The synthesis conditions of the aerogel are optimized to tune
the final pore size distribution of the carbon. The ultra-microporous N-doped carbon showed a CO2
adsorption capacity of 1.8 mmol/g at 298 K and 1 bar. Excellent CO2 adsorption selectivity over N2 has
been achieved with the carbon material having a narrow pore size distribution.
References:
1. H.A. Patel, J. Byun, C.T. Yavuz. ChemSusChem, 2017, 10, 1303–1317

2. C. Wu, G. Zhang, J. Liu, H. Yan, Y. Lv. Intl J of Energy Res, 2022, 1-16
3. V. Presser, J. McDonogh, S.H. Teon, Y. Gogotsi. Energy Environ. Sci. 2011, 4, 3059-3066.
222
P-148
Utilizing higher surface area & light harvesting ability of DFNS for boosting H2
generation capacity of In2O3 photocatalyst
Adarsh K. Mourya, Atul V. Wankhade*
Department of Chemistry, Visvesvaraya National Institute of Technology (VNIT), Nagpur, India.
Abstract:
A novel In2O3@DFNS photocatalyst was synthesized via a solvothermal method. The crystal phase,
morphology, and optical absorption properties of the In2O3@DFNS were characterized by XRD,
FESEM, HRTEM, UV-DRS, PL and EIS. The results substantiate that there is good adhesion between
the In2O3 and the surface of the DFNS. When employed for photocatalytic water splitting,
1–3
In2O3@DFNS photocatalysts with 30% weight percentage of In2O3 on DFNS generates hydrogen at
-1 -1 4,5 -1 -1
significantly higher rate (1067.7 µmol h g c)atas compare to pristine In O 3(45.79 µmol h g ).
2cat3-fold enhancement in the hydrogen generation was observed owing to the formation of
heterojunction between uniformly dispersed In2O3 & DFNS. This study provides a simple and
environmentally benign protocol for developing novel highly active and stable photocatalytic systems
for hydrogen generation via water splitting under visible light irradiation.
References:
1. Bayal, N.; Singh, R.; Polshettiwar, V. Nanostructured Silica–Titania Hybrid Using Dendritic Fibrous
Nanosilica as a Photocatalyst. ChemSusChem 2017, 10 (10), 2182–2191.
https://doi.org/10.1002/cssc.201700135.
2. Maity, A.; Belgamwar, R.; Polshettiwar, V. Facile Synthesis to Tune Size, Textural Properties and Fiber
Density of Dendritic Fibrous Nanosilica for Applications in Catalysis and CO2 Capture. Nat Protoc 2019,
14 (7), 2177– 2204. https://doi.org/10.1038/s41596-019-0177-z.
3. Rawool, S. A.; Samanta, A.; Ajithkumar, T. G.; Kar, Y.; Polshettiwar, V. Photocatalytic Hydrogen
Generation and CO2 Conversion Using G-C3N4Decorated Dendritic Fibrous Nanosilica: Role of Interfaces
between Silica and g-C3N4. ACS Appl Energy Mater 2020, 3 (9), 8150–8158.
https://doi.org/10.1021/acsaem.0c01265.
4. Yang, X.; Xu, J.; Wong, T.; Yang, Q.; Lee, C. S. Synthesis of In2O3-In2S3 Core-Shell Nanorods with
InvertedType-I Structure for Photocatalytic H2 Generation. Physical Chemistry Chemical Physics 2013, 15
(30), 12688– 12693. https://doi.org/10.1039/c3cp51722e.
5. Sun, L.; Zhuang, Y.; Yuan, Y.; Zhan, W.; Wang, X. J.; Han, X.; Zhao, Y. Nitrogen-Doped Carbon-Coated
CuO-In2O3p–n Heterojunction for Remarkable Photocatalytic Hydrogen Evolution. Adv Energy Mater
2019, 9 (48), 1–11. https://doi.org/10.1002/aenm.201902839.
223
P-149
Formation of nanocrystal decorated ultrathin porous C3N3 nanosheets for selective

CO2 photocatalytic conversion
1,2 1,2 1,2 1,2*
Niharika Kumar , Rajashree P. Misra , Sweta Bastia and Yatendra. S. Chaudhary
1
Materials Chemistry Department, CSIR-Institute of Minerals and Materials Technology, Bhubaneswar
751 013, India
2
Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201 002, India
*Corresponding author mail: [email protected]
Abstract
Artificial photosynthesis, the light-driven CO2 conversion into hydrocarbon fuels, is a potential approach
[1]
to combat global warming and increasing energy demand simultaneously . The interaction of the CO2
on the catalyst's surface and the charge transfer kinetics that determine the carbon dioxide
photoconversion efficiency and product selectivity can be tailored using ultrathin two-dimensional
materials, which have a higher degree of active sites that are distributed uniformly and can be tuned. The
photocatalysts designed by integrating enzymes and the Nitrogen-deficient C3NX have shown potential
[2-5]
for CO2 conversion. In particular, the Nitrogen-deficient C3NX having porosity and ample room for
functionalization to improve selectivity for CO2 conversion has been undertaken in this work. In order to
fine- tune the charge transport kinetics and CO2 activation, it has been decorated with MoS2 nanocrystals.
The mpg-C3N3 decorated with optimised MoS2 exhibits CO2 conversion predominantly in CO with the
-1
yield of the order of 980 µ mol g . The characterization using XRD, TPD, FTIR and HRTEM has been
undertaken to elucidate their structural and optical properties. Further, the charge carrier dynamics, CO2
activation on these heterostructure ultrathin photocatalysts and underlying mechanism will be discussed
in detail.
References:
1. Hepburn, C.; Adlen, E.; Beddington, J.; Carter, E. A.; Fuss, S.; Mac Dowell, N.; Minx, J. C.; Smith, P.;
Williams, C. K. Nature 2019, 575, 87−97.
2. Biswajit Mishra, Sabyasachi Mishra, B. Satpati, and Yatendra S. Chaudhary, ChemSusChem, 2019, 12,
3383–3389.
3. Andreas Bachmeier, Vincent Wang, Thomas W. Woolerton, J. Fontecilla-Camps, M. Can, Stephen W.
Ragsdale, Yatendra S. Chaudhary and Fraser A. Armstrong, Journal of the American Chemical Society,
2013, 135 (40), 15026–1503
4. Thomas W. Woolerton, Sally Sheard, Yatendra S. Chaudhary and Fraser A. Armstrong, Energy &
Environmental Science, 2012, 5, 7470-7490.
5. Yatendra S. Chaudhary, Thomas W. Woolerton, Christopher S. Allen, Jamie H. Warner, ElizabethPierce,
Stephen W. Ragsdale and Fraser A. Armstrong, Chemical Communications, 2012, 48, 58-60.
224
P-150
Ag2V4O11 nanoflakes mediated photoactivation of peroxymonosulfate ion for

enhanced dye degradation and intrinsic bactericidal activity
Awanti S. Talmale, Rudra P. Singh, Atul V. Wankhade

Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur, India.
Abstract:
We report the synthesis of di-silver tetra vanadate (Ag2V4O11) nanoflakes by facile hydrothermal method
for peroxymonosulfate (PMS) activation under visible light irradiation for efficient degradation of both
cationic and anionic dyes. Almost 100% degradation of Methylene Blue was observed in just 45 min
using Ag2V4O11 in presence of PMS, while only 24% degradation was observed for only Ag2V4O11 that
too in 150 min, which affirms that there is a synergistic effect of visible light photocatalysis and PMS
activation within Ag2V4O11. The rate constant for the degradation of Methylene Blue over Ag2V4O11
−2 −1
photocatalyst in the presence of PMS (1.48mM) ions was 7.138× 10 min which is about 41.02 times
.
higher than that for only Ag2V4O The Ag2V4O11/PMS couple can be employed to deal with
environmental threats arising due to ever-increasing industrialization. Furthermore, the antibacterial
properties of Ag2V4O11 were scanned using E. coli and S. aureus by the well-plate diffusion method.
Ag2V4O11 showed excellent antibacterial activity for both gram- positive and gram-negative bacteria,
which endorses Ag2V4O11 as a promising antibacterial material for a wide range of disinfection.
References:
1. J.L. Wang, L.J. Xu Advanced oxidation processes for wastewater treatment: formation of hydroxyl radical
and application Crit. Rev. Environ. Sci. Technol., 42 (2012), pp. 251-325
2. I. Manisalidis, E. Stavropoulou, A. Stavropoulos, E. Bezirtzoglou Environmental and health impacts of air
pollution: a review Front. Public Health, 8 (2020)
3. J.A. Khan, X. He, H.M. Khan, N.S. Shah, D.D. Dionysiou Oxidative degradation of atrazine in aqueous
solution by UV/H2O2/Fe2+, UV/S2O82-/Fe2+ and UV/HSO5-/Fe2+ processes: a comparative study
Chem. Eng. J., 218 (2013)pp. 376-383
4. V. Romero, S. Acevedo, P. Marco, J. Giménez, S. Esplugas Enhancement of Fenton and photo-Fenton
processes at initial circumneutral pH for the degradation of the β-blocker metoprolol Water Res., 88
(2016), pp. 449-457
225
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Effects of calcination temperature on non-porous carbon nitride for photocurrent

generation and CO2 capture
Rashmi Nautiyal, Gurudas Mane*

Department of Chemistry, Sunandan Divatia School of Science,NMIMS, Mumbai, India.
E-mail: [email protected], [email protected]*
Abstract:
In the present work we have synthesized graphitic carbon nitride (g-CN) using heterocyclic, N rich
1
precursors. The free amine groups present on the terminals of g-CN structure ensure the basicity of the
photocatalyst (g-CN), thereby enhancing CO2 (weakly acidic) adsorption on the surface of carbon
2 o
nitride. A series of photocatalysts synthesized at different temperatures ranging from 300-550 C have
been used to study i) the effects of calcination temperature on structural evolution ii) formation of
defect states and iii) study the photovoltaic properties. In order to confirm the aforementioned
objectives, XRD, DRS, Electron Paramagnetic Resonance spectroscopy (EPR), Photoluminescense, and
current-voltage studies were performed. The obtained catalysts displayed remarkable difference in
photoconductivity with respet to calcination temperature. In addition, CO2 adsorption studies were
performed over representative samples by using in-situ FTIR analysis.
References:
1. Y. Ran, X. Yu,J. Liu, J. Cui,J Wang, et. al. Journal of Materials Chemistry A, 2020 8(26),13292-13298.
2. F. Inagaki,C. Matsumoto,T. Iwata, &C. Mukai,Journal of the American Chemical Society, 2017
139(13),4639-4642.
226
P-152
Carbon-based sorbent and prototype device for high-throughput CO2 capture

Malavika Sunil S, Arunachaleswar V., Manikandamaharaj T.S. and Jaffar Ali B.M.*
Biophotonics and Bioenergy Laboratory, Department of Green Energy Technology, Pondicherry University,
India.
Laboratory, Department of Green Energy Technology, [email protected]

Abstract:
In this work, freshly activated carbon and raw lignite powder materials were chosen to demonstrate a
cost- effective, environmentally benign CO2 capture methodology. With the help of a custom built,
dedicated CO2 adsorption-desorption chamber having a provision for a catalyst bed, CO2 sensor, gas
holding chamber, inlet and outlet control valves, CO2 gas was captured by adsorption. Following which
desorbed gas is made to sequester by a calcium bicarbonate solution. The sequestered CO2 is quantified
by standard analytical method. It is demonstrated that an indegenously processed activated carbon could
adsorb 120 cc/g of CO2 per cycle, and raw powdered lignite could adsorb 37.51 cc/g of CO2 which
translate to be 1613L and 68.5L of CO2 per kg of adsorbent material, respectively. The cyclic test which
last for 4 hours per adsorption- desorption process, shows noticeable reduction in sequestration ability
in a continuous adsorption-desorption process. However, continuous CO2 sequestration process in a
reactor system has great potential of large-scale sequestration. We shall discuss the results on the effect
of fine tuning of material processing parameters, capture and desorption being optimized by response
surface methodology, and a over-all CO2 sequestration through-put of a fabcricated prototype sequester
device.
References:
1. Boujibar, Ouassim, et al. "Efficient CO2 Capture by Ultra‐high Microporous Activated Carbon Made From
Natural Coal." Chemical Engineering & Technology 44.1 (2021): 148-155 Polshettiwar, ACS Accounts of
Chemical Research, 2022, 55,1395–1410
2. Acevedo, Sergio, Liliana Giraldo, and Juan Carlos Moreno-Piraján. "Adsorption of CO2 on activated
carbons prepared by chemical activation with cupric nitrate." ACS omega 5.18 (2020): 10423-10432.
3. Al-Mamoori, A., et al. "Carbon capture and utilization update. Energ Technol 5 (6): 834–849." (2017).
4. Polshettiwar, Vivek, and T. Nanocatalysis Asefa. Synthesis and applications. Wiley Online Library, (2013).
5. Wang, Xia, et al. "CO 2 adsorption of lignite chars after one-step KOH activation." New Journal of
Chemistry 44.32 (2020): 13755-13763.
227
P-153
“Silver Zirconate”: An excellent visible light active photocatalyst for photocatalytic

water splitting, persulfate ion activation and antibacterial activity
a b a
Rudra P. Singh , G.S. Gaikwad , Atul V. Wankhade *
a
Department of Chemistry, Visvesvaraya National Institute of Technology (VNIT), Nagpur, India
b
Department of Applied Chemistry, Priyadarshini J. L. College of Engineering, Nagpur, India E-mail:
Abstract:
1–3
Here we report the environmentally benign co-precipitation protocol for the synthesis of Ag2ZrO3 at
room temperature. The synthesized material was well characterized and employed for catalyzing dye
sensitized hydrogen production via photocatalytic water splitting, photoactivation of persulfate (PS) ion
-5
and also for antibacterial activity. Ag2ZrO3 exhibits almost 100% Rh B (2.1×10 M) dye degradation in
just 90 min under visible light irradiation in presence of PS, whereas only 43.4% Rh B degradation was
observed in absence of PS, which validates the role of Ag2ZrO3 in the photoactivation of PS ion. The as-
-1
synthesized Ag2ZrO3 alone generates 310 μmolg of hydrogen, while only EY is also capable of
-1
generating 834 μmolg of H2. However, EY and Ag2ZrO3 together, drastic increase in the amount of
-1
hydrogen generated (2288.94 μmolg ) was observed in just 4 hrs. Additionally, Ag2ZrO3 also exhibits
4
outstanding bactericidal activity against E. coli and S. aureus under dark and light. These varieties of
application mentioned above endorses the suitability of robust Ag2ZrO3 for a wide range of
environmental remediation.
References:
1. Thakare, S. R.; Gaikwad, G. S.; Khati, N. T.; Wankhade, A. v. Development of New, Highly Efficient and Stable
Visible Light Active Photocatalyst Ag2ZrO3 for Methylene Blue Degradation. Catal Commun 2015, 62, 39–43.
https://doi.org/10.1016/j.catcom.2014.12.027.
2. Xu, H.; Shen, X.; Khan, M. A.; Wang, F.; Lei, W.; Xia, M. Facile Synthesis of Rock-like Ag2ZrO3 Decorated with
TiO2 Nanoparticles Heterostructures with Highly Enhanced Visible-Light Photocatalytic Properties. Journal of
Nanoparticle Research 2020, 22 (3). https://doi.org/10.1007/s11051-020-4768-y.
3. Subin David, S. P.; Veeralakshmi, S.; Sakthi Priya, M.; Nehru, S.; Kalaiselvam, S. Room-Temperature Chemiresistive
g- C3N4/Ag2ZrO3 Nanocomposite Gas Sensor for Ethanol Detection. Journal of Materials Science: Materials in
Electronics 2022, 33 (14), 11498–11510. https://doi.org/10.1007/s10854-022-08124-w.
4. Das, R. S.; Warkhade, S. K.; Kumar, A.; Gaikwad, G. S.; Wankhade, A. v. Graphitic Carbon Nitride @ Silver
Zirconate Nanocomposite (GC3N4@Ag2ZrO3): A Type-II Heterojunction for an Effective Visible Light
Photocatalysis and Bacterial Photo-Inactivation. J Alloys Compd 2020, 846, 155770.
https://doi.org/10.1016/j.jallcom.2020.155770.
228
P-154
Scalable optical fiber photocatalytic reactor for H2 production from water splitting:
Addressing scattering issues
Priyanka S Walko, R. Nandini Devi*
Catalysis and Inorganic Chemistry Division, CSIR-National Chemical Laboratory, Pune, Maharashtra,
India- 411008.
*Corresponding author e-mail: [email protected], Phone: +91 2025902271, Fax: +91 20
25902633
Abstract:
Scattering is one of the main challenges in scaling up photocatalytic water splitting using the most
prevalent powder catalysts. This can be overcome by decoupling the reaction medium from light
transmission, as in the case of optical fibers. Here we explore utilizing optical fibers coated with a well-
known catalyst, CuO/TiO2 for water splitting in comparison with powder catalyst systems. The
scalability of such optical fiber-based systems along with potential in non-potable turbid water media
are demonstrated. Maximum activity of 22 µmoles of H2 productions for 8h was obtained with 50 mg of
catalyst coated on optical fibers, which increases linearly with increase in fiber numbers, whereas,
drastic reduction in activity is observed in powder catalyst upon increasing the catalyst quantity
Keywords: Photocatalytic water splitting, Visible light utilization, CuO/TiO2, Optical fibers, Total
internal reflection
References:
1. Fujishima, A.; Honda, K. Electrochemical Photolysis of Water at a Semiconductor Electrode, Nature. 238
(1972), 37–38.
2. M.E. Potter, D.J. Stewart, A.E. Oakley, R.P. Boardman, T. Bradley, P.J.A. Sazio, R. Raja, Combining
Photocatalysis and Optical Fiber Technology toward Improved Microreactor Design for Hydrogen
Generation with Metallic Nanoparticles, ACS Photonics. 7 (2020) 714–722.
229
P-155
Machine learning assisted exploration of high entropy alloy-based catalysts for

selective CO2 reduction to methanol
Diptendu Roy, Shyama Charan Mandal, Biswarup Pathak*
Department of Chemistry, Indian Institute of Technology Indore, Indore 453552, India
*Email: [email protected]
Abstract:
Catalytic conversion of CO2 to carbon neutral fuels can be ecofriendly and allow for economic
replacement of fossil fuels. Here, we have investigated high-throughput screening of high entropy alloy
1
(Cu, Co, Ni, Zn, and Sn)-based catalysts through machine learning (ML) for CO2 hydrogenation to
methanol. Stability (using atomic size difference factor (δ) and the ratio taken from Gibbs free energy of
2
mixing (Ω)) and catalytic activity studies of these catalysts have been performed for all possible
3 4
combinations, where different elemental, compositional, and surface microstructural features have
been used as input parameters. Adsorption energy values of CO2 reduction intermediates (CO, HnCO
(n=1-3), H, O) on the CuCoNiZnMg- and CuCoNiZnSn-based high entropy catalysts have been used to
train the ML models. Successful prediction of adsorption energies of the adsorbates using
5
CuCoNiZnMg- based training data is achieved except for two intermediates. We show that activity and
selectivity of these catalysts can be successfully predicted for CO2 hydrogenation to methanol, and we
could screen a series of high entropy-based catalysts (from 36750 considered catalysts) which could be
promising for methanol synthesis.
References:
1. D. Roy, S. C. Mandal, B. Pathak, ACS Appl. Mater. Interfaces, 2021, 13, 56151–56163
2. X. Yang, Y. Zhang, Mater. Chem. Phys. 2012, 132, 233– 238
3. W. Gao, Y. Chen, B. Li, S.-P. Liu, X. Liu and Q. Jiang, Nat. Commun., 2020, 11, 1196
4. J. K. Pedersen, T. A. A. Batchelor, A. Bagger, J. Rossmeisl, ACS Catal., 2020, 10, 2169– 2176
5. D. Roy, S. C. Mandal, B. Pathak, J. Phys. Chem. Lett., 2022, 13, 5991–6002.
230
P-156
nd
Furfural vapor-phase hydrodeoxygenation to 2-methylfuran, a 2 generation
biofuel, over TiO2 supported Cu-Ni bimetallic catalysts
Anurag Jaswal, Piyush Pratap Singh, Tarak Mondal*
Catalysis and Sustainable Energy Research Lab, Department of Chemical Engineering, Indian Institute
of Technology Ropar, Rupnagar, Punjab-140001, India.
Abstract:
The vapor phase hydrodeoxygenation (HDO) of FFR to 2-MeF was investigated over a series of TiO2-
supported mono and bimetallic Cu-Ni catalysts with a fixed Cu content (10 wt.%) and varying Ni
content (0-20 wt.%). The catalysts were synthesized through wet impregnation method, and their
properties studied in depth through techniques such as X-ray diffraction (XRD), H2-temperature
programmed reduction (H2-TPR), Scanning Electron Microscopy (SEM), N2-physisorption, Raman
spectroscopy, and NH3-temperature programmed desorption (TPD). Detailed studies were carried out to
evaluate the effect of various process parameters such as Ni content, temperature, and contact time on
the selectivity of 2-MeF. The bimetallic catalyst with the composition 10%Cu-10%Ni provides the
optimum FFR conversion (100%) and 2-MeF selectivity values (84.5%) at 200 °C and WHSV = 0.87
-1 -1
gFFR h g after 6 h time-on-stream (TOS). Long-term activity evaluation revealed that the catalyst
exhibited 100% FFR conversion and ~85% selectivity towards 2-MeF over a period of 12 h. Conversion
and selectivity values remained greater than 90% and 70%, respectively even after 15 h.
References:
1. A. Jaswal, P.P. Singh, T. Mondal, Green Chem., 2022, 24, 510-551

2. G. Singh, T.S. Khan, C. Samanta, R. Bal, A. Bordoloi, Biomass and Bioenergy, 2022, 156, 106321
3. S.H. Chen, Y.C. Tseng, S.C. Yang, S.D. Lin, Appl. Catal. A Gen., 2021, 613,118020
4. B. Seemala, C.M. Rai, R. Kumar, C.E. Wyman, P. Christopher, ACS Catalysis, 2017, 7, 4070-4082
231
P-157
Radiolytic Synthesis of Ti3C2Tx supported Pt nanoparticles for Oxygen Reduction

Reaction (ORR)
Sharon Benny Alex, Linsha Vazhayal, Santosh. K. Haram*
Department of Chemistry, Savitribai Phule Pune University, Pune, India.
Abstract:
One of the major challenges associated with the commercialization of fuel cells is the development of
electrocatalysts for the cathodic oxygen reduction reaction (ORR). To date, the C-supported Pt catalyst
is the state-of-the-art fuel cell catalyst but, it suffers from rapid corrosion and less durability. The
development of alternative support is highly imperative. In this work, 2D layered, accordion-like
Ti3C2Tx nanosheets which demonstrated high electronic conductivity and unique surface chemistry
were developed as a support for the loading of Pt particles. A facile, clean approach was used for the
impregnation of Pt nanoparticles onto the 2D support. The Pt/MXene catalyst demonstrated a superior
activity and stability compared to commercial Pt/C for ORR in acidic environments. The metal-support
interaction enhanced the charge transfer kinetics which was indicated by the positive shift in both onset
and half-wave potentials towards ORR. This study not only reveals the favorable performance of
Pt/Ti3C2Tx for ORR but also provides insight into the rational design of other electrocatalysts using
MXene support.
References:
1. X. Xie, S. Chen, W. Ding, Y. Nie, Z. Wei, Chem. Commun. 2013, 49, 10112.
2. X. Xie, Y. Xue, L. Li, S. Chen, Y. Nie, W. Ding, Z. Wei, Nanoscale 2014, 6, 11035.
3. C. Zhang, B. Ma, Y. Zhou, C. Wang, J. Electroanal. Chem. 2020, 865, 114142.
4. C. Xu, C. Fan, X. Zhang, H. Chen, X. Liu, Z. Fu, R. Wang, T. Hong, J. Cheng, ACS Appl. Mater. Interfaces
2020, 12, 19539.
5. Z. Zhang, H. Li, G. Zou, C. Fernandez, B. Liu, Q. Zhang, J. Hu, Q. Peng, ACS Sustainable Chem. Eng.
2016, 4, 6763.
232
P-158
Composites of carbons/indium sulfide for hydrogen peroxide production and water

purification
*
Akshay Tikoo, Praveen Meduri
Department of Chemical Engineering, Indian Institute of Technology Hyderabad, Kandi, Sangareddy-
502284, Telangana (India)
Abstract
Photocatalysis is a promising technique for the green production of hydrogen peroxide (H2O2). The
present study focusses on the various types of carbons (graphene, reduced graphene oxide (RGO), and
carbon nitride (C3N4)) and indium sulfide (In2S3) composites for H2O2 generation via two-electron oxygen
reduction reaction. The carbon composite materials show a significantly higher performance than the pure
-1
In2S3. In2S3-RGO achieves H2O2 production rate of 460 µM h , which is ~ 11 times higher than that of
pure In2S3. These composites also show good performance for water treatment with In2S3-RGO removing
84% chromium(VI) and 95% rhodamine B (RhB) from contaminated water upon 2h of irradiation. In2S3-
RGO has shown good results owing to their high specific surface area and good light absorption.
233
P-159
Effect of ligand attachment at Ag11 for CO Oxidation: A computational

investigation
Deeksha R., Deepak Kumar*, Shiv N. Khanna*
Department of Chemistry, M.S. Ramaiah University of Applied Sciences, Bengaluru, India.
Abstract
CO oxidation is a tedious reaction to carry out at room temperature, owing to its high activation energy
resulting from the excessive effort required to break the O=O bond. While several metal clusters are
reported to successfully oxidize CO, they fall short of their selectivity for the reaction and recyclability.
In this regard, there is a need for economical catalysts with high catalytic activity, low activation barrier,
and reusability. In this study, we have investigated the catalytic activity of the neutral pristine Ag11 cluster
towards CO oxidation. Subsequently, we studied the attachment effect of three different organic donor
ligands to the Ag11 cluster. We report through our theoretical calculations that the stabilization effect
caused by the ligands on the Ag11 cluster resulted in a symbolic drop in the activation energy barrier for
CO oxidation. Binding energies were calculated to identify the most favorable sites for adsorption. The
Langmuir-Hinshelwood mechanism was confirmed, and all the transition states obtained were validated
through intrinsic reaction coordinate calculations.
References:
1. D. Manzoor and S. Pal, J. Phys. Chem. C, 2014, 118, 30057–30062
2. D. Manzoor and S. Pal, J. Phys. Chem. A, 2015, 119, 6162–6170
3. W. Zeng, J. Tang, P. Wang and Y. Pei, RSC Adv., 2016, 6, 55867–55877
4. C. Reber, D. Bista, V. Chauhan and S. N. Khanna, J. Phys. Chem. C, 2019, 123, 14, 8983-8989
234
P-160
Bismuth –Tin based electrocatalyst for electro-reduction of CO2 to formate

Swarda N. Khatavkar, Tanushree M. Sukul, and Santosh K. Haram *
Department of Chemistry, Savitribai Phule Pune University, Ganeshkhind, Pune-411007,
India.
Email: [email protected], santosh.haram@unipune .ac.in
Abstract
Electrochemical reduction of CO2 to useful low-carbon fuels (CO2RR) not only partly mitigate global
warming problem but also provide the possibility for energy storage in the form of renewable energy.
Among various challenges in CO2RR, the selectivity of electrocatalyst towards CO2RR over competitive
hydrogen evolution reaction (HER) which takes place at a similar potential. Various strategies have used,
including bi-metallic catalysts various substrates viz. Mxenes, MOFs, graphitc carbon etc. the selection
of metal catalyst is based on their low toxicity and having high overpotential for HER, without
compromising its activity towards CO2RR. In that scenario, Tin and Bi based catalysts are considered to
be more promising due to low price, non-toxic, environmentally friendly nature. With this motivation, Sn
and Bi and their alloys have been tested for electrochemical CO2RR. The materials have been
characterized by XRD, TG-DTA XPS and FE-SEM. These have investigated for CO2RR by cyclic
voltammetry, Linear sweep Voltammetry. The electrodics of the reaction have been studied by Tafel
analysis. The product analysis has been carried out by NMR spectroscopy. All the analysis has been
brought out the role of Sn in Bi-Sn alloy towards electrochemical CO2RR.
References
1. Q. Li, Y. Zhang, X. Zhang, H. Wang, Q. Li, J. Sheng, J. Yi, Y. Liu and J. Zhang, Ind.Eng. Chem.
Res., 2020, 59, 6806–6814.
2. F. Frongia, M. Pilloni, A. Scano, A. Ardu, C. Cannas, A. Musinu, G. Borzone, S. Delsante, R.
Novakovic and G. Ennas, J. Alloys Compd., 2015, 623, 7–14.
3. Z. Li, Y. Feng, Y. Li, X. Chen, N. Li, W. He and J. Liu, Chem. Eng. J., 2022, 428, 1–10.
4. An, Xiaowei Li, Shasha Hao, XiaoqiongXie, ZhengkunDu, XiaoWang, Zhongde Hao, Xiaogang
Abudula, Abuliti Guan, Guoqing, Renewable and Sustainable Energy Reviews,2021, 143,110952
235
P-161
Highly responsive NIR Si/Sb2Se3 photodetector via surface engineering of Si

1,2 1,2 3 1,2 1,2
Yogesh Singh , Avritti Srivastava , Rahul Parmar , Reena Yadav , Sanjay K. Srivastava , Sudhir
1,2 1,2*
Husale , V.N. Singh
National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi, 110012, India
Elettra Sincrotrone, s.s. 14 km 163,500 in Area Science Park, 34149, Basovizza Trieste, Italy
*Corresponding author: [email protected] (VNS)
Abstract
There is a need of highly responsive photo detector for light detection in field of imaging technology and
optical communication. Plasmonic semiconductor nanostructured/silicon devices have shown promising
results in NIR region. However, these photodetectors have low optical absorption and poor charge carrier
injection efficiency. Sb2Se3 is light sensitive material with 1-D crystal structure and high absorption
coefficient, suitable for photodetector applications. We propose an efficient and low- cost NIR
photodetector based on a Sb2Se3 film deposited on micro textured p-Si, made via chemical wet-etching
process. We experimentally demonstrated that at optimised thickness of Sb2Se3 layer, the
proposed micro textured p-Si substrate enhanced the photocurrent by ≈ 2 times compared with that of the
2
Sb2Se3 deposited flat reference p-Si sample ,at 1064 nm (power =18 mW/cm ) at 1.0 V bias. On same
parameters the responsivity also increased ≈ 2 times. More interestingly, the micro textured p- Si based
device was able to operate at 0V bias, paving a path for self-bias device. Highest specific
15 2
detectivity of 2.25×10 Jones was achieved at 18mW/cm at a bias voltage of 0.5 V. It is demonstrated
that the enhanced responsivity was closely linked with field enhancement location, termed as hot spots
on Si/Sb2Se3 junction. As increasing the thickness of Sb2Se3, as well as absence of pyramidal structure
reduces such locations and hence decreasing the overall efficiency of device. The highest external
quantum efficiency (EQE) of 51.99% proves it a promising device for large-scale and low-cost plasmonic
based NIR photodetectors.
236
P-162
Electrochemical CO2R using flow cells: Effect of electrolyte concentration and

applied potential on faradic efficiency
Noah Jacob, Manikanta Majji, Mallikarjuna Rao Motapathula
Department of Physics, SRM University – AP, Andhra Pradesh, India Email: [email protected]
Abstract
The greenhouse gas, carbon dioxide can be reduced to profitable products using biochemical,
photochemical, and electrochemical processes. In the electrochemical CO2 Reduction (CO2R), the role of
catalyst has been well documented with Ag favoring the production of CO, but it was found that only Cu
based catalysts generate higher order carbon products like ethylene and propylene. In recent years there
is an increased interest for industrially scalable CO2R wherein the faradic efficiency (FE) of the products,
1
ease of separation as well as high current density are some of the areas that need innovation . Gas diffusion
2
electrodes (GDE) show higher current densities for CO2R due to the presence of a triple phase boundary .
The flow cell type of electrolyzer is well established in the fuel cell industry and also holds promising
3 4
results for CO2R for high current densities and FE . In this work we will take a look at the effects of
electrolyte concentration and applied voltage for the reduction of CO2 to CO using a flow cell electrolyzer
with GDEs using Ag NPs as the cathode and Ni, a low-cost alternative to Pt for the anode to determine
the optimum conditions for high current densities and FE.
References:
1. Sánchez, O. G.; Birdja, Y. Y.; Bulut, M.; Vaes, J.; Breugelmans, T.; Pant, D. Curr. Opin. Green Sustain.
Chem.2019, 16, 47–56
2. Cook, R. L.; MacDuff, R. C.; Sammells, A. F. J. Electrochem. Soc. 1990, 137 (2), 607–608.
3. García de Arquer, F. P.; Dinh, C.-T.; Ozden, A.; Wicks, J.; McCallum, C.; Kirmani, A. R.; Nam, D.-H.;
Gabardo,
4. C.; Seifitokaldani, A.; Wang, X.; Li, Y. C.; Li, F.; Edwards, J.; Richter, L. J.; Thorpe, S. J.; Sinton, D.;
Sargent, E.H. Science (80-. ). 2020, 367 (6478), 661–666.
5. Xu, Y.; Edwards, J. P.; Liu, S.; Miao, R. K.; Huang, J. E.; Gabardo, C. M.; O’Brien, C. P.; Li, J.; Sargent,
E. H.; Sinton, D. ACS Energy Lett. 2021, 6 (2), 809–815.
237
P-163
The role of catalyst layer deposition techniques for co2 reduction in a PEM fuel cell
Manikanta Majji , Noah Jacob, Mallikarjuna Rao Motapothula*
Department of Physics, SRM University-AP, Andhra Pradesh, India. E-mail:
[email protected] , [email protected]
Abstract
Since the efficiency of carbon dioxide electrolysis cells is often constrained by sluggish oxygen and
carbon dioxide (CO2) reduction kinetics, the catalyst layer of the cathode is perhaps the most important
part of the system. The development of economically feasible electrochemical reactors to convert CO2 to
value added compounds requires the advent of catalytic material with high activity and selectivity. Two
major technical gaps hindering commercialization have been identified: high cost and low
reliability/durability. Although a great deal of effort has been put into the exploration of cost- effective,
active, and stable fuel cell catalysts, we have not yet had any real breakthroughs. Therefore, exploring
new catalysts, improving catalyst activity and stability/durability, and reducing catalyst cost are currently
the major tasks in fuel cell technology and commercialization. In a PEM fuel cell, both the anodic
hydrogen (or liquid fuel) oxidation reaction (HOR) and the cathodic oxygen reduction reaction (ORR)
take place within the respective catalyst layers. Developing an improved understanding of how different
catalyst layer deposition methods impact the electrode performance is often key to enhancing overall
performance of the electrochemical process.
Keywords: Electrocatalysis, CO2 Reduction, Gas Diffusion Electrode, Fuel cell.
References:
1. Huei-Ru “Molly” Jhong, Fikile R. Brushett, Paul J. A. Kenis. Adv. Energy Mater. 2013, 3, 589–599
2. B. Millington , S. F. Du , B. G. Pollet , J. Power Sources 2011, 196, 9013
3. Eric W. Lees, Benjamin A. W. Mowbray, Danielle A. Salvatore, Grace L. Simpson, David J. Dvorak,
Shaoxuan Ren, Jacky Chau, Katherine L. Milton, Curtis P. Berlinguette . J. Mater. Chem. A, 2020,8,
19493-19501
4. Y. G. Yoon , G. G. Park , T. H. Yang , J. N. Han , W. Y. Lee , C. S. Kim , Int. J. Hydrogen Energy 2003,
28, 657
238
P-164
In situ growth of gadolinium/2-methylimidazole metal organic framework on 2D-

graphitic carbon nitride for bifunctional electrochemical oxygen evolution and
reduction
1 1
Saikat Kumar Kuila and Tarun Kumar Kundu
1
Department of Metallurgical and Materials Engineering, Indian Institute of Technology Kharagpur,
West Bengal - 721302, India
Abstract
In this work, the bifunctional electrocatalytic oxygen evolution reactions (OER) and oxygen reduction
reactions (ORR) of gadolinium-2-methylimidazole (Gd-2-mim) metal-organic framework (MOF)
functionalized 2D-graphitic carbon nitride (2D-g-C3N4) heterostructure (Gd-2-mim/2D-g-C3N4) are
1
demonstrated. The electrocatalyst is synthesized through mixing and coprecipitation methods . The
structural, interfacial, and microstructural properties of the synthesized heterostructure are revealed
through diffraction (XRD), spectroscopic (FTIR and XPS), and microscopic (SEM-EDS, AFM, and
HR-TEM) techniques. Besides, Gd-2-mim/2D-g-C3N4 shows a remarkably higher specific surface area
2 -1 2 -1 2 -1
(322.4 m g ) than the pristine 2D-g-C3N4 (69.12 m g ) and Gd-2-mim MOF (93.5 m g ). HAADF-
STEM analysis of Gd-2-mim/2D-g-C3N4 heterostructure confirms that all the elements C, N, Gd, and O
are uniformly distributed in the nanoporous microstructure. TG-DSC study ascertain the thermal
2
stability of the catalyst . Further, the catalytic performance of the synthesized heterostructure is
compared with pristine 2D-g-C3N4, and state-of-the-art electro-catalysts like Pt/C and RuO2 for ORR
and OER in terms of onset potential, charge transfer resistance (Rct), and stability. A plausible
3,4
bifunctional mechanism is also portrayed based on the electrocatalytic reaction kinetics . The present
material can be proficiently used in metal air batteries and fuel cell technologies.
References
1. Roy, D.; Neogi, S.; De, S. Adsorptive Removal of Heavy Metals from Battery Industry Effluent Using
MOF Incorporated Polymeric Beads: A Combined Experimental and Modeling Approach. J. Hazard.
Mater. 2021, 403 (August 2020), 123624. https://doi.org/10.1016/j.jhazmat.2020.123624.
2. Brunckova, H.; Mudra, E.; Rocha, L.; Nassar, E.; Nascimento, W.; Kolev, H.; Lisnichuk, M.; Kovalcikova,
A.; Molcanova, Z.; Strečkova, M.; Medvecky, L. Nanostructure and Luminescent Properties of Bimetallic
Lanthanide Eu/Gd, Tb/Gd and Eu/Tb Coordination Polymers. Inorganics 2021, 9 (10), 1–13.
https://doi.org/10.3390/inorganics9100077.
3. Ghosh, D.; Manikanta Kumar, M.; Raj, C. R.; Pradhan, D. Bifunctional Catalytic Activity of
Solvothermally Synthesized CeO2Nanosphere/NiO Nanoflake Nanocomposites. ACS Appl. Energy
Mater. 2021.
4. Kumar, Y.; Kibena-Põldsepp, E.; Kozlova, J.; Rähn, M.; Treshchalov, A.; Kikas, A.; Kisand, V.; Aruväli,
J.; Tamm, A.; Douglin, J. C.; Folkman, S. J.; Gelmetti, I.; Garcés-Pineda, F. A.; Galán-Mascarós, J. R.;
Dekel, D. R.; Tammeveski, K. Bifunctional Oxygen Electrocatalysis on Mixed Metal Phthalocyanine-
Modified Carbon Nanotubes Prepared via Pyrolysis. ACS Appl. Mater. Interfaces 2021, 13 (35), 41507–
41516. https://doi.org/10.1021/acsami.1c06737.
239
P-165
Light assisted in-situ generation of plasmonic crystalline cu catalyst for prominence

performance on co2 hydrogenation
Pratip Chatterjee, Vivek Polshettiwar*
Department of Chemical Sciences, Tata Institute of Fundamental Research, Mumbai
Abstract
The reverse water gas shift (RWGS) reaction plays a pivotal role among the various CO2 utilization
approaches, due to the fact that it produces syngas, the building block of various conversion processes
for future sustainable economy. Here we have generated in-situ plasmonic crystalline Cu NPs via light
illumination on amorphous CuO on Dendritic Fibrous Nano Silica (DFNS)1 which absorbs broadband
solar light from visible to near IR. DFNS/Cu was then evaluated as a highly active and stable catalyst
for CO2 hydrogenation using green hydrogen. Even at high weight hourly space velocities (300,000 mL
g−1 h−1 ), Conversion of CO2 to CO and CH4 took place as soon as the catalyst was exposed to sunlight
without deactivation for 40 hours(Fig. 1). No external heating was required. Photoexcitation and
activation of CO2 and H2 were achieved by localized surface plasmon resonance (LSPR)2,3 of Cu. Along
with minimal thermal effect a shift in the apparent activation energy occurs due to the LSPR. From
CO-DRIFTS and EELS, we found there are Cu(1) presents along with Cu(0). Further, mechanistic
studies show the reaction was going via RWGS+CO hydro pathway4.
References
1. A. Maity, R. Belgamwar & V. Polshettiwar, Nature Protocols 14 (2019) 2177–2204
2. E. A. Carter, P. Nordlander & N. J. Halas, Nature Energy 5 (2020) 61–70
3. R. Verma, R. Belgamwar and V. Polshettiwar, ACS Materials Lett. 3 (2021) 574–598
4. J. Zhang, Y. Yang, J. Liu, Bo. Xiong, Applied Surface Science 558 (2021) 149866
240
P-166
Synthesis of stable metal nanoparticles on modified carbon and its superior activity
in electrochemical HER
Lavanya K, Ajmal P, Sreekumar Kurungot, Paresh L Dhepe*
Catalysis & Inorganic Chemistry Division, CSIR-National Chemical Laboratory, Pune, India.
Abstract
Hydrogen evolution reaction (HER) plays a significant role in electrochemical water splitting for clean
and sustainable hydrogen energy.1 Platinum-based nanoparticles generally serve as the state of art catalyst
for HER. Development of cost effective and efficient catalyst alternatives for HER is a major area of
research in electrochemistry.2 In this work, transition metal nanoparticles doped biomass derived
modified carbon materials are synthesized. When employed in the electrochemical HER in alkaline
media, the material showed remarkably efficient and stable performance than that of commercial platinum
catalyst. The superior activity of the material was explained with the help of various electronic and
structural property characterization techniques such as XPS, XRD, HR-TEM, etc.
References
1. Y. Zheng, Y. Jiao, Y. Zhu, L. H. Li, Y. Han, Y. Chen, M. Jaroniec, S. Z. Qiao, J. Am. Chem. Soc., 2016,
138, 16174–16181.
2. P. C. K. Vesborg, B. Seger, I. Chorkendorff, J. Phys. Chem. Lett., 2015, 6, 951–957.
241
P-167
Deciphering the weak CO2 framework interactions in microporous MOFs

functionalized with strong adsorption sites—a ubiquitous observation
Shyamapada Nandi*, Himan Dev Singh, Debanjan Chakraborty, Rahul Maity, and Ramanathan
Vaidhyanathan*
Indian Institute of Science Education and Research Pune, India.
Abstract:
Carbon capture from industrial effluents such as flue gas or natural gas mixture (cf. landfill gas), the
primary sources of CO2 emission, greatly aids in balancing the environmental carbon cycle. In this
context, the most energy-efficient physisorptive CO2 separation process can benefit immensely from
improved porous sorbents. Metal organic frameworks (MOFs), especially the ultramicroporous MOFs,
built from readily available small and rigid ligands, are highly promising because of their high
selectivity (CO2/N2) and easy scalability. Here, we report two new ultramicroporous Co-adeninato
isophthalate MOFs. They concomitantly carry basic functional groups (−NH2) and Lewis acidic sites
(coordinatively unsaturated Co centers). They show good CO2 capacity along with high CO2/N2
–9 2 –1
selectivity, working capacity, and smooth diffusion kinetics (Dc = 7.5 × 10 m s ). The MOFs exhibit
good CO2/N2 kinetic separation under both dry and wet conditions with a smooth breakthrough profile.
Despite their well-defined CO2 adsorption sites, these MOFs exhibit only a moderately strong
interaction with CO2 as evidenced from their HOA values. This counterintuitive observation is
ubiquitous among many MOFs adorned with strong CO2 adsorption sites. To gain insights, we have
identified the binding sites for CO2 using simulation and MD studies.
References:
1. Nandi, S.; Singh, H. D.; Chakraborty, D.; Maity, R.; Vaidhyanathan, R. ACS Appl. Mater.
Interfaces, 2021, 13, 24976– 24983.
2. Huck, J. M.; Lin, L.-C.; Berger, A. H.; Shahrak, M. N.; Martin, R. L.; Bhown, A. S.; Haranczyk,
M.; Reuter, K.; Smit, B. Energy Environ. Sci. 2014, 7, 4132.
242
P-168
Design of dual functional materials for hydrogen production with inherent CO2
capture
a b b a
Srikanth Malladi , Shadab Alam , Sumana Chenna , Yarasi Soujanya *
a b
Polymers & Functional Materials Division, Process Engineering and Technology Transfer
Department, CSIR-Indian Institute of Chemical Technology, Hyderabad 500007
Abstract:
Currently, H2 is produced mainly from fossil fuels (~96%), by steam methane reforming (SMR)
resulting about 900 Mt of CO2 emissions to the atmosphere per year. Although SMR is a well-
established process, it remains highly energy intensive process with CO2 emissions. SE-SMR (Fig. 1) is
an emerging technology that offers high-purity H2 production with inherent CO2. The SE-SMR process
is advantageous in significant reduction in CAPEX and OPEX by eliminating the need for water gas
shift reactors and pressure swing adsorption units. Although the SE-SMR process seems very promising
as a greener option for high purity H2 production, there still exist several challenges, hindering their
fast-track commercialization in terms of material synthesis and integrated process design and operation.
Our team at CSIR-IICT addresses the above challenges through an integrated “data-driven ML and
quantum mechanical (QM) approach, which facilitates rapid design of DFMs (sorbents/catalysts) with
improved catalytic activity and CO2 sorption capacity. The best compositions of DFMs have been
identified wherein the carbon formation and other annihilation reactions were minimized, which
intrinsically reduced the energy needs by avoiding the separation process and led to process
intensification.
References:
1. Parameswari, A.; Soujanya, Y.; Sastry, G. N. Functionalized Rutile TiO2 (110) as a Sorbent to Capture CO2
through Noncovalent Interactions: A Computational Investigation. J. Phys. Chem. C 2019, 123 (6), 3491–
3504.
2. Gonuguntla, S.; Tiwari, A.; Gopinath, J.; Yarasi, S.; Sesha Sainath, A. V.; Pal, U. Rational Design of Ru(II)-
Phenanthroline Complex Embedded Porous TiO2 photocatalyst for Efficient Hydrogen Production. Renew.
Energy 2020, 159, 1–9.
3. Hussain, M. A.; Soujanya, Y.; Sastry, G. N. Computational Design of Functionalized Imidazolate Linkers of
Zeolitic Imidazolate Frameworks for Enhanced CO2 Adsorption. J. Phys. Chem. C 2015, 119 (41), 23607–
23618.
4. Shadab Alam, Lingaiah Nakka, Soujanya Yarasi, Sumana, Chenna, Intensified chemical looping reforming
processes with in-situ CO2 capture for high purity H2 production from non-fuel grade bioethanol, Chemical
Engineering and Processing-Process Intensification, 2022, Vol. 171, 108733
5. Mallesh, D.; Anbarasan, J.; Mahesh Kumar, P.; Upendar, K.; Chandrashekar, P.; Rao, B.V.S.K.; Lingaiah, N.
Synthesis, characterization of carbon adsorbents derived from waste biomass and its application to CO 2
capture. Applied Surface Science, 2020, 530(13):147226
243
P-169
Water soluble Co and Ni-MOF for the degradation of methylene blue dye and as an
antibacterial agents
a b a b a*
Ekta Asiwal , Dinesh Kumar , Chaturvedi Gujja , Ahmad Ali , Suresh Pawar
a b
Department of Chemistry, University of Mumbai, Santacruz (E), Mumbai 400098. (India) Department
of Life Sciences, University of Mumbai, Santacruz (E), Mumbai 400098. (India) Corresponding author
e-mail: [email protected]
Abstract:
Metal organic frameworks (MOFs) are three-dimensionally organized versatile organic-inorganic
hybrid porous material having the benefit of being adaptable and potentially tunable photocatalysts.
Because of their programmable chemical composition and tailorable property crystal structures,
1,2
research on MOFs has tremendously aided the theory and applications of coordination chemistry.
MOFs have the potential to be attractive options for dealing with the current environmental and energy
3
issues that humans are facing. We have successfully synthesized two novel water soluble MOFs;
constructed from anhydride core linker as structural backbone and cobalt / nickel transition metal
center, investigated the degradation performance of thiazine based methylene blue cationic dye and
their bactericidal activity was also carried out. The percentage of degradation was found to be 96 %
which was achieved in a short period of time under natural sunlight. Also, the antibacterial activity of
both the MOFs found good inhibition against both gram-positive and gram-negative bacteria. Our
findings shed light on the water soluble MOF and its use as a photocatalysts in dye degradation and as a
potential antibacterial agents, which could have significant implications for future wastewater treatment
applications and in medicinal applications.
References:
1. R. Liang, F. Jing, L. Shen, N. Qin, L. Wu, MIL-53(Fe) as a highly efficient bifunctional
photocatalyst for the simultaneous reduction of Cr(VI) and oxidation of dyes, Journal of
Hazardous Materials. 287 (2015) 364–372. https://doi.org/10.1016/j.jhazmat.2015.01.048.
2. H. Beitollahi, Q. van Le, O.K. Farha, M. Shokouhimehr, S. Tajik, F.G. Nejad, K.O. Kirlikovali,
H.W. Jang, R.S. Varma, Recent electrochemical applications of metal-organic framework- based
materials, Crystal Growth and Design. 20 (2020) 7034–7064.
https://doi.org/10.1021/acs.cgd.0c00601.
3. S. Gautam, H. Agrawal, M. Thakur, A. Akbari, H. Sharda, R. Kaur, M. Amini, Metal oxides and
metal organic frameworks for the photocatalytic degradation: A review, Journal of Environmental
Chemical Engineering. 8 (2020). https://doi.org/10.1016/j.jece.2020.103726.
244
P-170
Role of pore size and pore volume in Fe-doped cobalt hydroxide-based nanomeshes
for oxygen evolution reaction
Shashank Sharma, Amit Paul*
Department of Chemistry, Indian Institute of Science Education and Research (IISER), Bhopal, India.
Abstract
Iron-doped cobalt-based layered double hydroxides (LDHs) are cost-effective electrocatalysts for oxygen
1,2
evolution reaction (OER) associated with the conversion of clean and renewable energy. Herein, we
report ultrathin nanomeshes with different Co to Fe ratios and the role of pore size and pore volume for
OER. The as-prepared nanomeshes Co0.8Fe0.2(OH)x possess abundant oxygen vacancies, three-
3
dimensional porous feature, and optimum pore size (~3.8 nm having pore volume 0.68 cm /g) which
allows for the lowest overpotential 314 mV and small Tafel slope of 54 mV/dec, while also providing
-1
excellent mass activity 435 Ag which is ~4.7 times greater than undoped Co(OH)2 at 350 mV. The
understanding of Fe-doping induces amorphization, which provides more accessible surface area and
optimum pore size, providing new insights into developing highly efficient
References
1. Xu, X.; Zhong, Z.; Yan, X.; Kang. L.; Yao. J. J. Mater. Chem. A, 2018, 6, 5999-6006
2. Zhou, T.; Cao, Z.; Wang, H.; Gao, Z.; Li, L.; Mab, H.; Zhao, Y. RSC Adv., 2017, 7, 22818-22824
3. Song, Y.; Song, M.; Liu, P.; Liu, W.; Yuan, L.; Hao, X.; Pei, L.; Xu, B.; Guo, J.; Sun, Z. J. Mater. Chem.
A, 2021,9, 14372-14380
245
P-171
Promotional role of oxygen vacancy defects and cu-ce interfacial sites on the activity
of Cu/CeO2 catalyst for CO2 hydrogenation to methanol
1 1
Rajan Singh , Vaibhav Pandey , Kamal Kishore Pant*
Department of Chemical Engineering, Indian Institute of Technology Delhi, New Delhi-110016, India
Abstract
The Cu/CeO2 catalyst was prepared by co-precipitation, surfactant-assisted co-precipitation, and sol- gel
methods for CO2 hydrogenation to methanol are documented. The performance of these catalysts was
evaluated to elucidate the role of catalytic properties. The Cu/CeO2 catalyst synthesized by the sol-gel
(Cu/CeO2-SG) method exhibited superior strong basic site density, Cu dispersion, and oxygen vacancy
defects than co-precipitation method. A correlation between strong basic site density, oxygen vacancies,
and methanol space time yield was established. Moreover, the promotional role of Cu-Ce interfacial sites
on the reduced Cu4t/CeO2(111) cluster in CO2 adsorption and activation has been reported by the DFT
calculation. These experimental and theoretical results provide insights into Cu- CeO2 interaction and
role of metal-support interactions in the CO2 hydrogenation reaction.
References
1. X. Jiang, X. Nie, X. Guo, C. Song, J. G. Chen, Chem. Rev. 2020, 120, 15, 7984–8034
2. J. Zhong, X. Yang, Z. Wu, B. Liang, Y. Huang, T. Zhang, Chem. Soc. Rev. 2020, 49, 1385–1413.
246
P-172
Hierarchical porous nitrogen-doped carbon supported MgO as an excellent

composite for CO2 capture at atmospheric pressure and conversion to value-added
product
Jean-Louis K. GBE, Krishnan Ravi , Moussa. Grafouté , and Ankush V. Biradar
a
Inorganic Materials & Catalysis Division, CSIR-Central Salt and Marine Chemicals Research Institute
(CSMCRI), Bhavnagar, Gujarat 364002, India. bPhysics Department, Technology Laboratory, Felix
Houphouet Boigny University of Cocody, Abidjan, Côte d’Ivoire.
Abstract
Carbon capture, utilization, and storage are currently the most promising solution to solve the climate
change problem. This study reports a simple method for producing a novel hierarchical porous nitrogen
and carbon supported MgO material (N@MgO/C) from the abundant bio-waste and magnesium chloride.
The topographies of the prepared samples were thoroughly examined by several characterization
techniques. The XRD, Raman, and XPS analyses reveal the existence of graphitic carbon. FESEM, and
N2 adsorption-desorption studies, reveal a hierarchical porous structure with a mesoporous texture and
2
good surface area (258.98 m /g). The thoroughly characterized materials have been used for two
applications: CO2 capture and CO2 utilisation. Furthermore, N@MgO/C demonstrated an excellent ability
to adsorb CO2 at room temperature with maximum adsorption of
2.55 mmol/g remaining almost stable up to 4 cycles. Moreover, it exhibits good catalytic activity for the
cycloaddition of CO2 with various epoxides at atmospheric pressure in the presence of CTAB under the
solvent-free condition with a yield of 96% and high stability over five cycles without any modification in
its morphology.
References
1. E. S Sanz-Perez, C. R Murdock, S. A. Didas, C. W.Jones, Chem. Rev., 2016, 116(19), 11840-11876.
2. X. Shao, Y. Zhang, X. Miao, W. Wang, Z. Liu, Q. Liu, X. Ji, Sustain. Energy Fuels., 2021, 5(18), 4701-
4709.
3. H. Yu, X. Wang, Z. Shu, et al., Front. Chem. Sci. Eng., 2018, 12, 83–93.
4. T. Harada, F. Simeon, E.Z. Hamad, T.A. Hatton, Chem. Mater., 2015, 6(27), 1943-1949.
5. Rehman, G. Nazir, K.Y. Rhee, S.J. Park, Chem. Eng. J., 2021, 420, 130421.
247
P-173
Production of Sebacic acid and 2-Octanol via a caustic fusion of methyl ricinoleate
ab b* a
Sagarkumar Yogesh Dhanuskar , S. N. Naik , Kamal Kishore Pant *
a
Department of Chemical Engineering, Indian Institute of Technology Delhi (IIT-D), New Delhi, India.
b
Centre for Rural Development and Technology, Indian Institute of Technology Delhi (IIT-D), New
Delhi, India.
Abstract:
Catalytic conversion of C-18 backbone of castor oil fragments (methyl ricinoleate) with alkali to C-10
(Sebacic acid) + C-8 (2-Octanol) through a unique sequence including a primary reaction related with
three different types of redox reactions and uncoupled oxidation. Optimized reactions parameters include
catalyst, oleochemicals/NaOH ratio, reaction time and reaction temperature. It was discovered that Pb3O4
(1%) exhibited the optimum catalytic performance, and 280 ᵒC was deemed the optimal temperature of
the reaction. The oleochemical/NaOH ratio of 15:12 were determined as the optimal ratio for alkali fusion
of methyl ricinoleate was 3 hours. The maximum yield in sebacic acid of 58 % and 2-octanol of 28 % can
be obtained by using methyl ricinoleate as the raw material. High purity of sebacic acid was confirmed
by GC and melting point analysis. ICP-MS results illustrated that the content of Pb in sebacic acid was
-1
less than 1 mg kg . Separating glycerol from castor oil was beneficial for alkali fusion, by which, the
yield of sebacic acid was increased of 6 %. This study provided guiding siginificance for the future
industrial production of sebacic acid.
References
1. Dhanuskar, Sagar, S. N. Naik, K. K. Pant, Catalysis for Clean Energy and Environment
Sustainability. Springer, Cham, 2021.209-235
2. Ogunniyi, David S, Bioresource technology 97, no. 9 (2006): 1086-1091.
3. Azcan, Nezihe, and Elif Demirel.Industrial & engineering chemistry research 47, no. 6 (2008):
1774-1778.
4. Yu, Siyuan, Jianlun Cui, Congshan Zhong, Jian Meng, Tianyi Xue, ACS omega 4, no. 4 (2019):
6697-6702
5. Bhukya, Gandhi, Shiva Shanker Kaki, European Journal of Lipid Science and Technology 124.
No. (2022): 2100244
248
P-174
Plasmonic Nanoreactor for CO2 reduction

Rohit B Raj, Erik C Garnett*
Sustainable Energy Materials, NOW-I Institute AMOLF, Amsterdam, The Netherlands.
Abstract:
Plasmonic nanostructures have unique optical properties that render them the ability to concentrate light
1
in sub-nano scale volumes . Molecules interacting with this concentrated light can undergo chemistry
2
which is otherwise inaccessible by traditional thermal catalysis . Extreme light confinement, in addition
to driving interesting chemistry at the surface, can also be used to probe molecules using highly sensitive
spectroscopic techniques like surface-enhanced Raman scattering. Our group recently showed that
Methylene blue (MB) can undergo different chemical processes in a nanoparticle on a mirror (NPoM)
cavity depending on the excited plasmon resonance’s wavelength. Resonance linewidth analysis in
conjunction with SERS measurement indicated: i) At 1.7 eV, a charge transfer driven MB desorption ii)
At 1.9 eV, a nearfield driven N-demethylation of MB.
CO2 reduction reaction (CO2RR) proceeds via different intermediates leading to the formation of multiple
products, yielding poor selectivities. My PhD aims to understand the underlying mechanism in plasmonic
CO2RR control product distribution via promoting/inhibiting the formation of specific intermediates at a
single particle level.
References
1. Baumberg, J. J., Aizpurua, J., Mikkelsen, M. H. & Smith, D. R. Extreme nanophotonics from
ultrathin metallic gaps.Nat. Mater. 18, 668–678 (2019).
2. Zhan, C., Moskovits, M. & Tian, Z.-Q. Recent progress and prospects in plasmon-mediated
chemical reaction. Matter 3, 42–56 (2020).
3. Oksenberg, E.; Shlesinger, I.; Xomalis, A.; Baldi, A.; Baumberg, J. J.; Koenderink, A. F.;
Garnett, E. C. Energy- Resolved Plasmonic Chemistry in Individual Nanoreactors. Nat.
Nanotechnol. 2021, 16, 1378– 1385
249
P-175
Understanding pseudocapacitive behaviour of rGO-LaNiO3 all solid state

symmetric configuration
Undavalli Venkata Gopi, Kumar Sai Smaran*
Department of Chemistry, Sri Sathya Sai Institute of Higher Learning, Brindavan Campus, Whitefield,
Bangalore, India.
Abstract:
In this study we have explored a perovskite oxide LaNiO3 (LNO) and its nanocomposite with reduced
graphene oxide (rGO). The materials were synthesized by a facile binder-free hydrothermal technique.
The phase purity and morphological features were investigated through XRD, RAMAN and electron
microscopy studies. Single electrode tests revealed superior capacitance for the nanocomposite rGO-LNO
-1 -1
(920 F g at 1 A g current density) compared to the bare LNO. To determine the practical utility of a
supercapacitor the critical parameters like coulombic efficiency, Self-discharge and Leakage currents
needs to be evaluated. For this purpose an all solid state supercapacitor (SSC) of the nanocomposite rGO-
LNO was fabricated. The SSC was subjected to 10000 galvanostatic charge-discharge cycles and it
retained an excellent coulombic efficiency of over 99% with a capacitance retention of 60.20%. The
Self-discharge and Leakage currents were estimated by a sequence of voltage holding tests (VHT) for 2
h, 4 h, 6 h and 8 h on the SSC at its maximum potential. The Self-discharge voltages are reproducible and
further investigation confirmed the Self-discharge phenomenon is diffusion driven. Leakage currents are
estimated to be very minimal throughout the VHT. Exceptional stability, high capacitance make the
nanocomposite an ideal electrode material for pseudocapacitors.
References
1. Gopi, U.V., Bhojane, P., and Smaran, K.S. (2022) Engineering oxygen-deficient nanocomposite
comprising LaNiO3-δ and reduced graphene oxide for high-performance pseudocapacitors. J.
Energy Storage, 54 (April), 105301.
2. Mefford, J.T., Hardin, W.G., Dai, S., Johnston, K.P., and Stevenson, K.J. (2014) Anion charge
storage through oxygen intercalation in LaMnO 3 perovskite pseudocapacitor electrodes. Nat.
Mater., 13 (7), 726–732.
3. Kumar, R., Jin, G., Jong, H., Singh, J., Sadat, F., Rubahn, H., Kumar, Y., Hee, S., and Seog, J.
(2022) Voltage holding and self-discharge phenomenon in ZnO-Co 3 O 4 core-shell
heterostructure for binder-free symmetric supercapacitors. Chem. Eng. J., 427 (May 2021),
131895.
4. Che, W., Wei, M., Sang, Z., Ou, Y., Liu, Y., and Liu, J. (2018) Perovskite LaNiO3-δ oxide as an
anion-intercalated pseudocapacitor electrode. J. Alloys Compd., 731, 381–388.
250
251

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1

10.00 – 13.00 IST Registration

13.00 – 14.00 Lunch

Session 1- Auditorium (Chair- Prof. R. Venkatramani, TIFR, Mumbai)

14.30- PL-1 Plenary-1: Prof. D. D. Sarma (IISc, Bangalore)

16.25-17.30 Tea Break / Group Photo

Session 2- Auditorium (Chair- Prof. Vamsee Voora, TIFR, Mumbai)

17.30- IL-3 Prof. Emiliano Cortés (University of Munich, Germany)

18.00- IL-4 Prof. Prashant Jain (University of Illinois, USA)

18.30- KN-1 Prof. Suljo Linic (University of Michigan, USA)

20.05-22.00 DINNER and End of Day-1

8.00-9.00 IST Breakfast

Session 3- Auditorium (Chair- Prof. Ankona Datta , TIFR, Mumbai)

9.30-9.55 IL-5 Prof. Rahul Banerjee (IISER, Kolkata)

10.30- PL-3 Plenary-3: Prof. Bert Weckhuysen (Utrecht University, Netherlands)

Session 4- Auditorium (Chair- Prof. ASR Koti, TIFR, Mumbai)

12.00 - IL-7 Prof. Swadhin Mandal (IISER, Kolkata)

12.30– IL-8 Prof. Vivek Polshettiwar (TIFR, Mumbai)

Session 5- Auditorium (Chair- Dr. Sukhendu Nath, BARC)

14.00- IL-9 Prof. Ayan Datta (IACS, Kolkata)

15.30-16.00 Tea Break

16.00- KN-2 Prof. Kuo-Wei Huang (KAUST, KSA)

16.40- IL-12 Prof. Pedro Camargo (University of Helsinki, Finland)

Session 7- Auditorium (Chair- Prof. Malay Patra, TIFR, Mumbai)

10.40- IL-14 Prof. J. Dasgupta (TIFR, Mumbai)

Session 8- Auditorium Session 9- AG66

Session 10- Auditorium Session 11- AG66

Session 12- Auditorium (Chair- Prof. Shouvik Chatterjee, TIFR, Mumbai

17.00- PL-4 Plenary-4: Prof. Manish Chhowalla (University of Cambridge, UK)

18.00-19.00 POSTER Session

19.30-22.00 GALA DINNER and End of Day-3

8.00-9.00 IST Breakfast

09.30- KN-5 Prof. Jitendra Bera (IIT, Kanpur)

Session 14- Auditorium Session 15- AG66

Session 16- Auditorium Session 17- AG66

Session 18- Auditorium (Chair- TBD)

16.45- IL-33 Prof. Yu Han (KAUST, KSA)

19.30-22.00 DINNER and the End of Day-4

8.00-9.00 IST Breakfast

Session 19- Auditorium (Chair- Prof. Kalaivanan Nagarajan, TIFR, Mumbai)

Session 20- Auditorium (Chair- TBD)

13.25-14.00 CONCLUDING PROGRAM and AWARDS

14.00-15.00 LUNCH and the End of CACEE-2022

Prof. Geoffrey Ozin

Prof. Bert Weckhuysen,

Prof. Manish Chhowalla

Prof. Suljo Linic

Prof. Kuo-Wei Huang

Prof. Bhagavatula L. V. Prasad

Prof. Jorge Gascon

Prof. Jitendra K Bera

Prof. Toshiharu Teranishi

Prof. Pramod P. Pillai

Prof. Vishal Govind Rao

Prof. Emiliano Cortes

Prof. Prashant K. Jain

Professor & University Scholar,

Prof. Rahul Banerjee

Scheme 1. MOFs towards visible-light-driven CO2 reduction to different feedstocks.

Prof. Tapas Kumar Maji