Accepted Manuscript

A synoptic review of MoS2: Synthesis to applications

Unni Krishnan, Manjot Kaur, Kulwinder Singh, Manjeet Kumar, Akshay Kumar

PII: S0749-6036(18)32439-X
DOI: https://doi.org/10.1016/j.spmi.2019.02.005
Reference: YSPMI 6026

To appear in: Superlattices and Microstructures

Received Date: 5 December 2018

Revised Date: 1 February 2019
Accepted Date: 8 February 2019

Please cite this article as: U. Krishnan, M. Kaur, K. Singh, M. Kumar, A. Kumar, A synoptic review of
MoS2: Synthesis to applications, Superlattices and Microstructures (2019), doi: https://doi.org/10.1016/
j.spmi.2019.02.005.

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Contents
1. Introduction ......................................................................................................................................................................................... 3
2. Bulk to Nano MoS2 ............................................................................................................................................................................... 4

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2.1 1T (tetragonal) .................................................................................................................................................................................. 5
2.2 2H-MoS2 and 3R MoS2 .................................................................................................................................................................... 7

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3. Synthesis Methods ............................................................................................................................................................................... 9
3.1 Mechanical exfoliation ............................................................................................................................................................... 13

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3.2 Chemical exfoliation .................................................................................................................................................................. 13
3.3 Chemical vapor deposition/vapor-phase growth process (CVD) ............................................................................................... 15

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4. Allotropes .......................................................................................................................................................................................... 18

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5. Properties ............................................................................................................................................................................................. 23
5.1 Electronic and electrical properties ............................................................................................................................................ 23

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5.2 Optical properties ....................................................................................................................................................................... 25
5.3. Raman spectroscopy and phonon and photon interaction .......................................................................................................... 26

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5.4 Mechanical properties ................................................................................................................................................................ 28

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6. Application ........................................................................................................................................................................................ 29
6.1 Mechanical ................................................................................................................................................................................. 33
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6.2 Bio sensors ................................................................................................................................................................................. 35
6.3 Gas sensing ...................................................................................................................................................................................... 37
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6.4 Chemical application .................................................................................................................................................................. 38

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6.5 Catalytic activity ........................................................................................................................................................................ 40

6.6 Optoelectric devices ................................................................................................................................................................... 41
6.7 Supercapacitors ...............................................................................................................................Error! Bookmark not defined.
7. Conclusion and future outlook .......................................................................................................................................................... 43
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A synoptic review of MoS2: Synthesis to applications

Unni Krishnana, Manjot Kaura, Kulwinder Singha, Manjeet Kumarb, Akshay Kumara*

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Advanced Functional Materials Laboratory, Department of Nanotechnology, Sri Guru Granth Sahib
World University, Fatehgarh Sahib-140 406 Punjab, India

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b
Department of Electrical Engineering, Incheon National University, Incheon, 406 772, South Korea

*Corresponding author E-mail: [email protected]

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Abstract: Molybdenum disulphide is established as multi-functional and multi-utility material due to

its capability to display varying properties as it transforms from bulk to nanoscale. It has strengthened

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its importance in conventional industry in its bulk form as efficient lubricant. Its conversion from
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indirect to direct band gap with change of size has led to its usage as semiconductors in electronics
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industry. Few prominent domains which have recently found its utility are in flexible electronics,

transparent transistor devices, and other co-opted fields for biological and chemical applications etc.
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In this work, an attempt is made to compile and encapsulate all aspects related to material with a brief
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description of structure, synthesis, properties and applications, so as to provide useful information for

researchers and engineers.

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Keywords: MoS2; biosensors; hydrogen evolution reaction (HER); dry lubricants; catalysis.
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1. Introduction

Development of materials with desired properties and characteristics has been a fundamental

challenge since decades. Nanotechnology has opened gates for tailoring the structure, shape of

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material at nano levels to achieve diversified properties. Tuning of chemical, electrical, optical and

electronic properties has ensured applications in major domains like mechanical, optoelectronic etc.

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During last decade carbon nanotube was seen as promising member for electronics [1,2] and other

varied fields [3,4]. However, it has inability to differentiate metallic and semiconducting phases

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evidently. This limitation has attracted intense research interest and evolution of quasi two

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dimensional (Q2D) materials family consisting of graphene [5], hexagonal boron nitride [6], two-
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dimensional (2D) honeycomb silicon [7], layered transition metal dichalcogenides (TMDs) (including

molybdenum disulphide (MoS2) and tungsten disulphide (WS2)), black phosphorus [8], and 2D ZnO
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[9] etc. Graphene was favourite due its extraordinary properties like high electrical conductivity (~104

Ω-1 cm-1) and high Young's modulus (1.1 TPa) [10,11]. Fermi surface of graphene is a junction of
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valence band and conduction band, ensuring it to be a zero gap material [10]. Though it ensures
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excellent electrical property, its applications in logical circuits for low-power electronic switching is

hampered due to absence of direct band gap [12,13]. After graphene, TMDs [14] forming layered
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structure like disulphides, diselenides, ditellurides and fluorides of molybdenum, titanium, vanadium

and chromium have dominated the research filed [14,15]. TMDs possess transition metal from group
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IV to VI and chalcogens (S, Se and Te) [14]. TMD family has over 40 different combinations of

multilayered elements like black phosphorous [16] and quintuple layer of Se [17,18]. Material

characteristics and electronic properties of bulk TMDs depended on d-electrons of transition metal

atoms. Applications of TMDs in various domains are strongly influenced by their synthesis process.

Synthesis process like mechanical, chemical vapor deposition techniques etc. decide their field of
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application [19]. Molybdenum disulphide (MoS2) which is a prominent member of TMDs exhibits

this property seamlessly. It possess a layered structure, with an ability to transform from indirect

band gap of 1.2 eV to direct band gap of 1.9 eV [20,21]. In a monolayer form it exhibits a high

on/off current ratio (108) a decent mobility of 200 cm2(V-s)-1 at room temperature [22]. Thus

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properties depending on its thickness [22,23] makes it suitable for diverse applications specially in

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optoelectronics [24]. MoS2 is a layered material with molybdenum sandwiched between two sulfide

layers (S-Mo-S). Strong covalent bond exists between atoms within the crystal and weak Vander

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Waals forces exist within layers. This configuration defines its application as dry lubricants which

are used in aerospace machines [25,26]. Additionally, single layered MoS2 displayed properties,

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which have marked variations from their parent bulk structures. Thus MoS2 was highly researched
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element; the number of papers published against MoS2 is shown in Figure 1 MoS2 gained popularity

as an replacement for graphene in electronics domain, further found applications in various sectors
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like hydrogen evolution reaction (HER) [27,28], energy storage & conversion [29–31] and as
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electrodes in sodium [32] and lithium batteries [33]. The direct band gap and ability to produce
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oscillating piezoelectric voltage and current outputs guaranteed the application in flexible electronics

[34], optoelectronics [24] and powering nanodevices [35,36].

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2. Bulk to Nano MoS2

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Bulk MoS2 crystal structure has a configuration of stacking Mo between six S atoms. It belongs to

class of TMDs which have three atoms thick layers. In them neighboring layers are connected by

weak Van der Waals forces which enable layers to slide one over other, facilitating shear along the

basal plane of crystals. This phenomenon at atomic dimensions which was achieved by ion beam has

been studied by Kim and Coworkers [37]. It was found that shear strength under normal load is 24.6
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MPa, thus exhibiting different mechanical properties and characteristics, giving birth to super-

lubricity.

Like TMD materials, it display rich polytypism [38] with three different polytypes format, namely

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1T [39,40], 2H [41,42] and 3R. The point group of 1T, 2H and 3R are D6d, D6h and C3v respectively.

Additionally, a hypothetical tetragonal 2T structure is also reported [43]. First digit indicates the

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number of layers and later alphabet defines crystallographic structure. In this ‘T’ denotes trigonal, ‘H’

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denotes hexagonal and ‘R’ indicates rhombohedral structure as shown in Figure 2. Further with a few

modifications in synthesis various morphology and allotropies like zero dimensional (nanoplatelets),

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one dimensional (nanorods, nanowires) and two dimensional to demonstrate unique properties can be
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molded. 2D MoS2 which has largest applications is obtained as monolayers and multilayers to form

nanosheets/nano ribbons/nanostripes. Similarly three dimensional structures (3D) of MoS2 include

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flower [44], dandelion, snowflakes . Natural and stable MoS2 is composed of 2H with less than 3% of

3R. It commonly has Trigonal prismatic coordination (D3h) of molybdenum atoms but with varied
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stacking order.
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2.1 1T (tetragonal)
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1T (tetragonal) which has Mo atom in octahedral co-ordination is a metastable phase of MoS2. It

displays metallic and paramagnetic behavior [45,46] with lattice parameters a = 5.60 Å, c = 5.99 Å
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and an edge sharing octahedral. Great enthusiasm was reported in research of metastable phases of
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MoS2. Pathway for formation of final 1T phase consists of three intermediate superstructures/

metastable polymorphs. First one forms after 15 min of oxidation with an a X 2a superstructure and

second after 60 min of extended oxidation, which results in a metallic 2a x 2a with a d3 electronic

configuration. Further strong oxidation leads to formation of superstructure of a√3 X a√3 [45,47].
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These three metastable polymorphs i.e. 1T’, 1T’’ and 1T’’’ are shown in Figure 3 [48]. Scanning

transmission electron microscopy (STEM) reveal that all three metastable phases can exists in a

single monolayer. 1T’ is formed due to dimerization of Mo atoms and the other two are formed due

to trimerization of Mo atoms [49]. Due to lower formation energy 1T’’ was reported to be more

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stable than the other two [50]. It is normally synthesized by hydration of MoS2 which was processed

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by intercalation compound Ki (H2O) y and then oxidized. Hydration and intercalation process supply

extra electron which helps in forming an octahedral structure. Later during oxidation these electrons

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are removed and octahedral form is retained with a distortion [45]. Another prominent method of

synthesis is by restacked MoS2 method [51] which involves precipitation of suspended intercalation –

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MoS2(LixMoS2). The basic concept for stabilization is related to the amount of excess electrons
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available by doping, which is confirmed during Re-doping of nanotube [52,53].
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This compound is stable for a few days and by just annealing or by ageing it transforms to more

stable form of 2H-MoS2, which is identified by exothermic peak. 1T-MoS2 undergo transition to
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disordered 2-MoS2 at constant mass T 95 °C [45]. 1T-MoS2 has excellent application as source and
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drain electrodes [54] in filed effect transistor (FET) devices, which are made of 2H-MoS2

semiconductors [55]. Due to structural and electrical matching with base material (2H-MoS2), they
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provide low contact resistance (∼200 Ω µm) resulting in high efficiency and performance. For these
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special applications, 1T-MoS2, is synthesized by electron beam process [53]. However, the most
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important application of metastable 1T-MoS2 is in intercalation chemistry. 2D-MoS2 is highly stable

and does not accept foreign atoms, thus 1T polytype is a better option for intercalation. They can host

other materials and modify their characteristics, from n-type to p-type. M. Mortazavi et al. has

conducted intercalation experiments using Na and has reported that 1T-MoS2 was more stable

compared to its 2D version [56]. This phenomenon can be attributed to symmetry induced splitting,
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of Mo-4d of MoS2 [46,57]. Mo-d orbital of the D3h-MoS6 unit is fully occupied. Electron of

intercalation material is normally accommodated in 4dxy and 4d  orbitals. 1T-MoS2 has

partially occupied 4dxy, 4dyz and 4dxz, which are of lowest energy, can accommodate electron from

intercalation material. Thus, on increment of Na concentration transformation was reported from 2D

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to 1T phase. Similar application as electrode in lithium ion battery is also reported [33,58]. Success

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of electrodes of 1T phase contacts can be understood from table 1.

Table 1 Comparison of device properties of FETs with 2H phase and 1T phase electrodes . [54]

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Property 1T phase contacts 2H phase contacts
Mobility (cm2/V s) 56 24

Sub threshold swing

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(V/decade)
ON current (µA/µm) 110 4.2
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Trans conductance (µS/µm) 4.8 2.2

2.2 2H-MoS2 and 3R MoS2

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2H-MoS2 (lattice parameters a = 3.15 Å, c = 12.30 Å) is the most stable form of MoS2. Its Bravais
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lattice structure is hexagonal and space group of the crystal is P63/mmc. It is stable up to ~1203 °C

after which it converts to Mo2S3. It possesses an n-type of semiconductor property with a charge
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carrier capability of 100 cm2V-1s-1. It shows two prominent peaks at 1.9 eV (λ~ 640 nm) for A1 and
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2.1 eV (λ~ 580 nm) for B1 exciton in UV-Vis spectrum. Similarly, Raman scattering has four
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characteristic vibration modes i.e. E2g2 mode (33 cm-1, weak), E1g mode (287 cm-1, weak), E12g mode

(383 cm-1, strong) and A1g mode (409 cm-1, strong). Two spin-antiparallel 4d electrons result in its

non-magnetic semiconductor property. However superconductivity along with transformation to 1T’

can be induced by alkali atoms intercalation [59] and ionic liquid gating [60]. It has been synthesized

by hydrothermal, ball milling method, chemical vapor deposition process to achieve 2D structures
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which has a paramount application. Though it has semiconducting features, it can be converted to

metallic when heated beyond 800 °C under high pressures. Further it converts from semiconducting

to superconducting feature when doped by Rb (Rubidium) using intercalation process at low

temperatures of 6.9 K [61]. It normally consists of 3R-MoS2 in very minute quantity in its stable

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state. In bulk form it is used as dry lubricants. 2D-MoS2 has profound application in removal of sulfur

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from organic compounds and fuel to achieve clean fuel via process called hydrodesulfurization.

3R-MoS2 is another stable form of MoS2 which is (found in less than 3% in natural

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molybdenite ore) rhombohedral –MoS2 with space group R3m and lattice parameters, a = 3.17Å, c =

18.38 Å. The unit cell contains three alternating S-Mo-S layers with a trigonal prismatic coordination

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(D3h). 3R-polytype transforms into 2H-polytype upon heating. 3R MoS2 crystals exhibit excellent
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nonlinear optical properties due to broken inversion symmetry resulting prospective application in

ultra nonlinear optical devices [62]. Synthesis of single and multilayer 3R is done by mechanical
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exfoliation technique [63]. 3R polytypes along with 2H are used as dry lubricants [64,65].
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Further, differently stacked 3R-MoS2 polytype and 2H-MoS2 possess a similar density of states
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(DOS) [66]. One major difference between 3R-MoS2 and 2H-MoS2 is the band structure and UV-Vis

absorption spectrum. The basic differentiation being change in ionic coordination within interlayer in
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comparison to 2H-MoS2, is due to different stacking order. Thus, A1 and B1 exciton absorption peaks
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are red-shifted by 10 meV and 62 meV respectively.

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Synthesis process involves conversion of MoOx- based precursor wires when exposed to H2S

atmosphere at a temperature above 800 °C. This would yield MoS2 ribbons which are predominantly

made of 3R-MoS2. 3R polytype shows valley polarization regardless of the number of layers, since it

lacks inversion centers.

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Stacking has a prominent factor in deciding electronic band structure for bilayer MoS2. Wickman et

al. has described stacking order of different polytypes and theoretically proposed 112 possible

polytypes with less than seven layers [67]. Stacking sequence is layer dependent and would affect its

electronic property. Figure 4 illustrates various format of stocking layer for 2H and 3R phases in

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single-layer, bilayer and trilayer configuration [68]. Mo is eclipsed over S, having an inversion

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symmetry between two layers in the bilayer of MoS2 with 2H -phase. It has stacking sequence as AA’,

which has the least energy. 3R –phase with a bilayer has a stacking sequence of AB, with no inversion

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symmetry between layers. It is reported that a new stacking sequence, (AA’)B, with symmetry

breaking feature is considered as most stable configuration, which has immense application in

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electronics and valley polarization studies [69].
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3. Synthesis methods

In this part of review, various methods of synthesis will be discussed along with
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advantages/disadvantages and corresponding modification they incur. MoS2 has very rich diversity of
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structures and extends a wide range of properties. Various methods for MoS2 production are vapor

deposition, chemical synthesis, ultrasonication, hydrothermal synthesis, the sol-gel process, thermal
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decomposition, etc. Large scale synthesis is an important feature for success of any material. Large
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scale monolayer crystals have been fabricated by exfoliation of bulk MoS2 via Li intercalation
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process. However, large-area film production is a major hurdle due to high synthesis temperature

(800 °C and above), which are later addressed by plasma-assisted synthesis. The various methods

assist in obtaining MoS2 particles with different shapes, sizes and spatial structures. These methods

are tabulated in Table 2 along with detail.

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Table 2 Various synthesis methods precursors and its applications.

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Method precursors Synthesis conditions Properties and applications Refer

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Hydrothermal-cum LiOH, ethylene glycol and MoS2 bulk Filtering by porous poly-vinylidene Uniform Large nanosheets of 4.68 nm
Intercalation crystals fluoride photovoltaic and photo- [70]

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Drying at 60 °C. electrochemical

Hydrothermal Sodium molybdate thioacetamide In autoclave at 200 °C for 24 h, Mesoporous MoS2 crystal lattice [71]

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method deionized (DI) water centrifuged at 10000 rpm for 10 min fringes were about 0.64 ± 0.05 nm

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dried at 60 °C for 10 h. electrochemical and super-capacitors
application

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Ammonium molybdate ((NH4)6Mo7O24 In autoclave to 180 °C in an air oven Ultrathin nanosheets [72]
.4H2O) elemental sulfur (S) powders for 40 h. centrifuged at 10000 rpm photoluminescence, photocatalytic,
photodevice and photochemical

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hydrazine monohydrate (N2H4 -H2O)
catalyst.

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Na2MoO4, NH2OH.HCl, Na2S, DI-water, In autoclave to 180 °C in an air oven Nanoparticles with diameter of 5–20 [73]
F-127 (H(OCH2CH2)100(OCH3CH-CH2)70 for 40 h. centrifuged at 10000 rpm nm, large-scale synthesis of
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(O–CH2CH2)120) flowerlike MoS2 hollow microspheres
Thermal MoO3 powder on quartz substrate, Sulfur Annealing at 750 °C to 830 °C for 1h Flakes of 5 to 50 nm thicknesses [74]
evaporation powder Argon environment / flow rate of fabrication of flexible electronic
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technique 200 sccm. devices

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Thermal Ammonium hepta-molybdate Ball milled for 1 hour in inert Co-promoted catalyst amorphous [75]
decomposition ((NH4)6Mo7O24·4H2O) to ammonia and atmosphere MoS2 for HDS application
bubbling H2S
ammonium-tetrathiomolybdate
((NH4)2MoS4),
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Method precursors Synthesis conditions Properties and applications Refer

Solution synthesisSodium molybdate (Na2MoO4), In autoclave for 180 °C/24 h Nanorods nanoplatelets for 100 nm [76]
sodium sulfide (Na2S), thioacetamide Filtered & dried at 80 °C/12 h For magnesium batteries and

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(CH3CSNH2), sulfocarbamide (CSN2H4), Calcination at 700 °C for 6 h electrochemical intercalation
potassium sulfocyanide (KSCN), and
carbon disulfide (CS2)

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Rheological phase NH4)6Mo7O244H2O, sulfocarbamide Autoclave for 200 °C /24 hrs. MoS2 nanoflakes has better properties [33]
reaction method (CS(NH2)2), and oxalic acid Later calcined in a tube furnace at than their nano particles

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(H2C2O42H2O) 500 °C for 2 hrs under a flow of Lithium ion battery applications
argon gas. Promising anode material

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Co-precipitation Ammonium hepta-molybdate tetra 150 °C on a hot plate with magnetic Continuous with diameter 20–150 [77]
method hydrate citric acid, distilled water under stirring for 30 min. nm, Rod-like MoS2 tunable

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magnetic stirring. Dried and calcinated at 250-800 °C, nanoelectronics, HDS and good
tribological characteristics

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Ball–milled method Elemental molybdenum and sulfur Planetary ball milled at 400 rpm with Uniform MoS2 microspheres with an [78]
powders ethanol for 10 h average diameter of about 1 µm.

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Tube furnace at 850 °C at a rate of Nanosheets of wall thickness 19−23

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EP 10 °C/min for 1 h in N2 atmosphere nm.

Ultrasound-assisted MoS2 powder chloroform, acetonitrile Pulsed ultrasonic irradiation Nanosheets 200 nm [79]
liquid method treatment for 1hr Exfoliated MoS2 6 nm to 12 nm.
Centrifuged for 3000 rpm for 30 min
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Annealing MoS2 powders, Sulfur vapor Annealing in Sulfur vapor. Triangular monocrystals of MoS2& [80]
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700 ◦C in an inert argon atmosphere

Mox W1-xS2 of 0.9 nm thick
Applications in electronics and
optoelectronics.
Green synthesis Thiourea, Na2MoO4⋅2H2O, Autoclave at 200 °C for 24 h. Feather cluster, of 5 nm length and 1 [81]
Washed with ethanol nm width.
Vacuum chamber overnight at room Photocatalysts for efficient solar
temperature. hydrogen production
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Method precursors Synthesis conditions Properties and applications Refer

Chemical Silicon substrates MoO3 Sulfur powder At 750 °C / 15 min of 95% argon High quality, uniform, and triangular [54]
Vapor Deposited n-butyl lithium and 5% hydrogen environment, and 2H phase monolayered MoS2 then 1T

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MoS2 n-butyl lithium for 48 h phased MoS2

Bulk crystalline MoS2 to Li+(MoS2)- Dried at 20 ºC and heated at 150 ºC / Photosensitive at 300-800 nm,

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Exfoliation- 2 hrs/vaccum. max photocurrent under
Restacking Method photoexcitation at ~ 440 nm. [82]

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Surface Na2MoO4.2H2O, stearic acid, DI water Filtered, washed with hot ethanol, 38.7% enhanced thermal conductivity [83]
modification with absolute alcohol at 80 °C. N2H4.H2O, and dried overnight in a vacuum at of MoS2 nanofluid.

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stearic acid HCL and sodium sulfide 60 °C.

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Optimized solution- Bulk MoS2 Large-area flakes of thin layer MoS2 [84]
Ultrasonication and mild agitation,
based exfoliation acetonitrile as an aprotic solvent with average sizes of tens of microns

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method and thicknesses as low as 10 nm.
pH-sensor, photoconductivity photo

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illumination.
Redox reaction Ammonium molybdate Precursors are mixed along with HCl Nanorod with length of 50-150 nm [85]

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method ((NH4)6Mo7O24.4H2O), and vigorously stirred. Mixer is kept and diameter of 20-40 nm,
sodium sulfide (Na2S.9H2O), at 90 °C for till black colour MoS2
hydrochloric acid and hydro-xylamine
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residual is formed. It is washed with
hydrochloride (NH2OHIHCl)
distilled water.
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3.1 Mechanical exfoliation

Novoselov et al. [86] was the first to synthesis few or single-layered graphene using Scotch tape

method. Some of the basic preferred qualities for this method are strong optical contrast between

substrate and flakes along with appreciable adhesive property. Silicon oxide [22,87–90] of

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thickness of 270-300 µm is the most successful substrate for MoS2. Only disadvantage of this

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procedure is low yield, however this is preferred by researchers as it produces MoS2 layers of

thickness ranging from few to tens of micrometers accurately. Another interesting and modified

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method which promises higher yield than the former method is wafer anodic bonding [91]. In

this bulk crystalline MoS2 is placed on a piece of Pyrex glass is made anodic and cathode is

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given to back surface of Pyrex glass. Whole setup is subjected to a voltage of 200-1500 V at a
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temperature of 130-200 ºC, under these conditions adhesive tape is used to mechanically peel of
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flakes to produce thin film on substrate. Monolayer crystals formed by exfoliation of bulk MoS2,

deficient of pristine semiconducting properties which can be attributed to structural changes

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incurred due to Li intercalation.

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3.2 Chemical exfoliation

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Existence of unique features of MoS2 has led to exploration and maturation of a novel kind of

techniques to synthesize the compound. The most striking being chemical exfoliation, as it has
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overcome low yield problem present in mechanical exfoliation. It has brought in huge interest
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due to advancements in physics and material technology. There are two basic approaches,

foremost being the ion intercalation and latter is solvent-based exfoliation. Jensen et al. [92], was

the first to use ion intercalation method (also called Morrison method). This method consists of

two steps, first being introduction of small size ions, like lithium, is inserted into gaps of layers

of MoS2, widening and weakening it. As a second step this intercalation flakes are subjected to
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reaction with water, wherein ions react with water releasing hydrogen gas. This separates layers,

resulting in single sheet layers, which are suspended in solution. This procedure is improvised by

using solvents like methanol, ethanol and isopropyl alcohol, instead of water, along with slight

heating, for better results. Resultant products are called restacked MoS2. Few disadvantages of

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this procedure are the prolonged length of reaction time (3 days) and lack of control during

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intercalation process. Decreased intercalation process leads to low yield and higher level would

result in decomposition of MoS2 into Li2S. Additionally it may lead to conversion of 2H (

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semiconducting) into an 1T-MoS2 (octahedral , metallic) [93], which is not preferred form for

electronic applications or research. Therefore, additional annealing process is mandatory to

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convert 1T to 2H-MoS2. Mild annealing can restore semiconducting phase of chemically
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exfoliated MoS2 crystals gradually. Further annealing above 300 °C is reported to exhibit band

gap photoluminescence [39]. Microwave assisted processes have been proposed to reduce
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reaction time [94]. Additionally, microwave energy is also utilized as a strategy for preparation
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of 2H-MoS2 nanosheets, nanocomposites and efficient conversion from 1T to 2H phase.

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Electrochemical method is another modified method in which instead of lithium in hexane for

intercalation, a voltaic cell is prepared using MoS2 as a cathode and lithium foil as anode. As this
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acts like a galvanic cell, measured amount of voltage and the discharge offered a better control

over complete intercalation process [93]. Solvent-based exfoliation is also known as Coleman
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method [95]. Principle of reducing of energy for layer separation is followed, by mixing bulk
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crystal of MoS2 in organic solvents like iso propyl alcohol, N-methylpyrrolidone (NMP) and

followed by sonication. This results in 2D layers of MoS2 flakes suspended in organic solution

which are useful for optical, vibrational and bio sensing applications. This method is also used to
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preserve 2H-MoS2 crystal structure [96] and these suspensions are particularly compatible with

micro fluidic systems [97].

3.3 Chemical vapor deposition/vapor-phase growth process (CVD)

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CVD synthesis process adopts a bottom-up approach, to control morphology, crystallinity and

defects. This method extends control of different process parameters so as to obtain high quality,

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high purity 2-D nanomaterial with controlled properties. This method facilitates development of

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novel types of 2-D nanosheets and their hybrids, by combining variety of precursors in different

forms.

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CVD indicates development of thin films in large scale by chemical reaction of vapors over
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substrate. Figure 5 shows the schematic diagram of this method. Basic CVD method, is a direct

evaporation also called vapor solid growth method. It yields small flakes of less quantity but of
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high quality as a single layer on a substrate. However, it suffered from discontinuous 2D-MoS2
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films, contributing to development of vapor phase growth. In this, thin molybdenum layer of
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required length is formed on substrate and sulfur vapor is made to flow over it.

Numerous vapor chemical deposition methods have been developed for wafer scale growth,
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which resulted in large sided triangular morphologies of 2D MoS2 [74,98,99]. CVD methods

utilizes one of the three different types of precursors. First one being ammonium thiomolybdate
C

solution[(NH4)2MoS4] [98,100], second is molybdenum trioxide powder[MoO3] [74,87,101–

AC

104], and third is elemental molybdenum [99,105]. When using first type of precursor the

compound is made to decompose during various annealing stages to produce MoS2 film. Crystal

grain sizes are dependent on type of substrates utilized for growth of MoS2 film. Larger crystal

sizes are formed while using sapphire substrate than by SiO2. FETs with n-type behavior are
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fabricated by using MoS2. They had a field–effect mobility of 6 cm2/Vs along with an on/off

ratio of about ~10 5. It was reported that when graphene on Cu foil [100] was used as substrate in

an environment of argon gas, the resultant was a 2-5 nm grain size. Additionally, MoS2

nucleating as wrinkles on surface of graphene lead to formation of hexagonal MoS2. When

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(NH4)2MoS4 was dip-coated [98] on an insulating substrate, it produces transferrable, high-

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crystalline three-layer MoS2.

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Balendhran et al. [74] developed a bulk synthesis methodology in which two step process is used

when second type of precursor (MoO3) is used. MoO3 is first evaporated on an arbitrary

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substrate, followed by sulfidation process in a quartz tube. This two-step method is more
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preferred because of higher electron mobility. FET of n-type, produced by this method exhibited

an on/off ratio of ~104 along with field –effect mobility of 0.02 cm2/Vs. Various combinations of
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temperatures and steps were experimented and reported to customize electronic property as per

need of FET devices and applications. It was reported that when process was conducted using
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powdered MoS2 [106] instead of MoO3, it yielded MoS2 flakes having triangular shape with high
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crystallinity. Further MoCl5 and elemental sulfur were used as precursors to produce uniform

and high quality mono and bilayer MoS2 film of grain size ranging from micro to few
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nanometers [107].
C

While using third type of precursor, a thin layer of molybdenum film is made to absorb into SiO2
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substrate and sulfurized at high temperature in inert atmosphere [99,105] . Film formed by this

precursor was a function of area covered by molybdenum absorbed over substrate, process

temperature and type of substrate. Resultant reported by this were both n-type and p-type

behavior films of MoS2 with higher mobility ratios ranging from .004 cm2/Vs to .04 cm2/Vs with

grain sizes of 5 nm to 30 nm. This process effectively grows MoS2 atomic layers by coalescence
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of triangularly shaped single crystals, which results in large scale and few-layered MoS2

displaying a high level of crystallinity. Few limitations reported in this method are lack of

pattern-ability due to random nucleation of precursor and scalability. Primary reason is attributed

to competition between lateral growth, which increases size of product and vertical growth,

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resulting in increased layers, especially under prolonged reaction.

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It was also reported that by using CVD process (by using second precursor) aligned edge –

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terminated vertically stacked MoS2 sheets were also formed, which finds a prominent place as

biosensor and catalyst, due to exposed active of MoS2 sheets. Similarly, nanosheets can easily be

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doped and functionalized by introducing one additional precursor source in mixture. In contrast,
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tailoring atomic level properties, controlling stoichiometry and defects in 2-D materials will

require further optimizations, and remains significant challenge in growth of CVD. Synthesis
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process of nanoscale MoS2 are engineered to achieve distinct morphology to maximize

advantages like higher MoS2 active edges and more amount of surface area. Low yield and
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random landing of 2D MoS2 flakes on substrates are problematic, especially for large-scale
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production.
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Unlike methods used for MoS2, slight modification and unconventional methods are adopted for

producing single layer MoS2 (SL-MoS2) or few layered. Few Prominent methods are thermal
C

annealing, and laser thinning method. In later method laser from a Raman system is used and
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made to systematically scan at higher power over thick flake of MoS2. Thermal annealing is

conducted in an inert argon environment, at 650 °C, on flakes causing sublimation. Another

method to modify exfoliation process is by ultrasound [108] which causes cavitation effect and

microjet effect. Cavitation causes bubbles at interface in a solvent and when they burst, they

form micro-jet and tearing effect on layers to achieve thinner layers.

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Industrial production can be successful only if large scale production is economical and easy.

Conventionally MoS2 nanosheets are formed by CVD and later transferred to glass substrate and

patterned by photolithography [109]. It was reported to produce 500 x 500 µm2. However, this

method was plagued with losses during the transfer on to the glass. These losses are attributed to

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domain boundaries [110], transfer induced wrinkles and cervices [111] and reduction in back

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gate charging effects [112]. Further CVD operates in the 600-800 °C range but the formation of

MoS2 films requires 1000 °C, which is inappropriate for direct synthesis on device substrate.

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Plasma assisted synthesis process was established to have potential equivalent to CVD,

magnetron sputtering based synthesis [113] and atomic layer deposition (ALD) [114]. Synthesis

U
temperature of 400 °C was found to be sufficient for uniform growth of few layer MoS2 on
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substrates using MoO3 vapor phase combined with H2S plasma [115]. Better atomic and

electronic structured MoS2 are reported to be formed when metallic Mo films are used in
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comparison to MoOx are utilized [116]. Plasma assisted synthesis at low temperatures are found
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to be successful for industrial production explored for many materials like chalcogenides [117].
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It was reported that conversion efficiency into films, is a function of various plasma parameters

which further effect their properties [118].

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4. Allotropes
C
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MoS2 exhibits nanostructured allotropes at nanoscopic scale. As arrangement of atoms influence

their energies and properties, understanding of these basic allotropes along with synthesis is

inevitable. They are function of pressure, temperature of synthesis which determine the stability,

and chemical and electronic properties. Figure 6 shows nanoplatelet a zero-dimensional allotrope

form of molybdenum disulfide. Synthesis of these nanoplatelets is done by vaporization of bulk

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MoS2 in a pulse dielectric arc [119] or by evaporation of molybdenum on Au (111) substrate in a

H2S atmosphere [120]. This form of MoS2 has maximum reactive atoms at edges, which

augments its hydrogen evolution reaction (HER) , hydro-desulfurization (HDS) and catalytic

property [121,122] . It is a fragment of a MoS2 monolayer with regular triangular shape. Another

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morphology version, as hexagonal nanoplatelets, also exists with graphite crystal as support

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[123]. Symmetry of triangular nanoplatelets depends on symmetry of substrate as well six-fold

symmetry of bulk MoS2. Platelets have largest quantity of reactive atoms at the edges of S and

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Mo, which decides stability of structure. Stability of these allotropes (triangular or hexagonal) is

dependent on size, number of active edges and interplay of the edge reconstruction [124].

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Platelet with Mo-terminated edges have lowest energies. The binding energies is directly
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proportional to cluster size till the bulk limit and is inversely proportional with number of Mo

atom at edges [119].

M
D

One dimensional MoS2 allotropes consists of nanorods, nanoribbons (nanostripes) and nanowires
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of MoS2 having widths smaller than their lengths. A prominent process for production of

nanorods are redox reaction method using ammonium-molybdenite based precursor [85]. MoS2
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nanotubes are produced by MoOx based precursor wires. They are exposed to H2S atmosphere at

high temperature (500-800 °C) [125]. MoS2 nanorods are also reported to be fabricated by CVD
C

on SiO2/Si substrate. The growth of MoS2 is greatly affected by the concentration of the MoO3
AC

gas phase. MoS2 nanorods displayed excellent photo-luminance properties with an ability to tune

morphology of products [126]. Short tubular–like MoS2 can be synthesized by laser ablation

method, utilizing bulk MoS2 in argon atmosphere [127]. MoS2 nanotube with defective structure
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on walls was reported along with high yield, when synthesised by thermal decomposition using

ammonium thiomolybdate as precursor and heating in H2 stream at 1200-1300 °C [128].

Based on lengthwise terminating edges, nanoribbons can be bifurcated as armchair and zigzag-

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nanoribbons. Armchair nanoribbon having semi conducting property has Mo or S atoms

terminating edges, while zigzag terminate displaying metallic behavior has repeated pairs of

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Mo/S [129,130] . Magnetic behavior of these polymorph is attributed to magnetic behavior at

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edges formed due to combination of sulfur vacancies in S-terminated or Mo- terminated

structure. Additionally, absorption of tertiary compound at edges will create additional magnetic

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moments. This calls for magnetic property which is different from their parent unit.
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2H-phase like nanorods are dependent on set of nanostripes which are associated by the Vander

Waals forces. Electronic properties of these are evaluated by DFT calculations and the band
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structure of nanostripes polymorph changes predominately in comparison to bulk

semiconductors 2H-MoS2 structure. Recently hydrothermal reaction was utilized to fabricate

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nanotori consisting of enlarged interlayer spaced nanosheets which led to superior properties of
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large discharge capacity (1488.1 mAhg-1) and cyclic performance. This hierarchical nanotori

provides large electrode/electrolyte contact interface making them apt in lithium ion batteries
EP

[131].
C

Nanotubes (NT) are another variant of one –dimensional polymorph based on folded, curved and
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closed fragments of MoS2 layers (single –layer nanotube is complex and forms nanowires with a

combination of 1T and 2H MoS2 forms). Figure 7 shows the basic construction of zigzag

simulated single-layer MoS2 nanotube and armchair simulated single-layer MoS2, viewed along

the tube axis (middle) and the c-axis (lower). These polymorphs are highly advantageous than

bulk due to activated surface of NT due to non-zero curvature. NT exposes free outer and inner
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surfaces resulting in high specific areas and ability to store high strain energy. The bent tri-layer

does not promote creation of capped tube ends, hence inner volume is accessible while the edge

atoms are reactive [132]. Variants like capped nanotube, T-shaped nanotube and twisted

nanotube are also reported during investigation and experiments. Various synthesis processes

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like laser ablation from bulk MoS2, sonoelectrochemical synthesis and thermal decomposition

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are utilized for NT. MoS2 nanotube growth can be established by transformation of MoO3

nanobelts [125], sulfurization of Mo6S2I8 nanowires [133] and by heating of MoS2 powder at

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1300 °C in Mo environment [134]. Nanotubes are described by index pair (n, m) which

corresponds to circumference of tube. Other parameters like radius R uniquely determines tube

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geometry. Helicoidal arrangement is determined by chiral angle θ. Three classes of internal
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structures can be formulated by combination of above parameters. With θ=30º, n = m we get

armchair nanotubes, when θ=0º n ≠ 0, m=0 we get zigzag nanotubes, and when 0º<θ<30º and n
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≠m we get chiral nanotubes. Nanotubes are more favorable at higher layers, as same number of
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layers (above K≈7 ) with an outer diameter of 12 nm , is more stable than equivalent number of
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linear layered structures. This happens due to dominance of strain energy in the nanotube with

less layers [135]. Further deviatoric elasticity elaborates the phenomenon of collapse of circle
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perimeter of nanotube leading to “∞-like perimeter, when a larger radii nanotube is synthesized

[136]. Stability of MoS2 nanotubes is studied by conventional classical theory of elasticity [137].
C

It was found to be dependent on mechanical properties of bulk MoS2 as it involves bending of

AC

layers [138] . Stability was evaluated by molecular dynamics simulations, which establishes that

failure of nanotubes is abrupt, initiated by a single atomic defect , which propagates to entire

circumference [138]. Each polymorph exhibits different style of bandgap due to different

confinement effects and tailored tube diameters. Zigzag MNT exhibits small direct band gap and
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armchair MNTs, displays indirect band gap [139]. MoS2 nanotube has a marked advantage of

providing accessibility of inner volume and maintaining reactive atoms at edges, additionally it

provides high exposures and specific areas to outer and inner areas. These features results in

highly effective catalyst for methanation [140]. Theoretically it can be proved that the MoS2

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Nanotubes should inherit the properties of the metered structures, down to very small radius.

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They yield defect free structures with an only constrain of production of NT phase in large scale.

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Recently, three dimensional MoS2 nanostructures has attracted tremendous attention due to their

unique properties and potential applications. These are hollow, irregularly faceted shape similar

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to nanotubes and composed of several nested shells and often addressed as onion-like particle.
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Monolayer which form shells are partially curved layers of 2H-MoS2 allotrope. High yield

synthesis at room temperature is achieved by utilizing sonoelectrochemical method which

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includes electrodeposition and ultrasonic irradiation [141]. These IF-MoS2 are reported to be

successfully produced by arc discharge in solution, micelle-assisted synthesis [142],

D

sonoelectrochemical process [141], gas-phase reaction between H2S and MoO3-x [143], the solid-
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state reaction between MoO and high temperature reaction between MoO3 nanobelts and sulphur

[144]. The synthesised IF-MoS2 produced by these methods have superior performance, due to
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high surface area of 33.4 m2g-1, than the corresponding nanoflowers, nanotube [145] and
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crystals. Thus they display excellent performance as catalysis, and hydrogen storage. They can
AC

also be produced by simple hydrothermal method [146]. It have immense application because of

excellent tribological properties and lubrication mechanism. Smaller size of inorganic fullerence

(IF) -MoS2, along with reduced agglomeration, allows them to enter more effectively in the gap

between rubbing surfaces, leading to less friction. This above concept depicts the IF-MoS2 to act

as nano-ball bearings until they deform [132,147].

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5. Properties
5.1 Electronic and electrical properties

After proving itself as an efficient lubricant, MoS2 was investigated for applications as

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transistors devices due to its special property of conversion of indirect to direct band gap as it

reached nano scale. Additionally this would result in increase in luminescence quantum yield

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(QY) [23]. This increased its dominance over graphene as semiconductor. It has required band

SC
gap to maintain the semiconductor properties of the materials. Greater control over electrical

properties is possible as the electron-free spaces, in between band gaps, allow certain electrons to

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leap. Further, doping of MoS2 by intercalation has enabled it to maneuver itself both as n-type
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and p-type semiconductor as per doping element. Re doping modulated MoS2 into n- type [148–

150] and p-type semiconductor is formulated by Nb [151,152] and Au [153,154].

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The change in bandgap of MoS2, follows the following pattern (Figure 8) [155], which is
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depended on quantum confinement, interlayer interactions and long range Coulomb effects and
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material physics.

• Initially in bulk MoS2 where numbers of layers are too high there is an indirect gap (1.29
EP

eV) between valence band maximum (VBM), at point г, to minimum point of conduction

band i.e. K. Here MoS2 displays metallic characteristics.

C
AC

• As the number of layers decreases, value of г also decreases.

• Conduction band Minima (CBM), value between the г and K keeps changing, as it is

dependent on hybridization of d-orbitals of Mo atoms and. between Pz-orbital of sulfur

atoms. The value at point of K of (CBM) which is due to d-orbital of molybdenum

remains constant and thus is not effected by the number of layers.

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• With further decrease, value VBM which is till now at г point, keeps decreasing and goes

below zero energy band making value at k which is unaffected, as new VBM point.

• In CBM value between г and K, keeps moving upward increasing gap thus making gap at

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K as direct and new bandgap (1.9 eV), displaying a semiconductor characteristic.

Further within nanostructures of MoS2 there is a slight change when it comes to different

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morphologies. MoS2 NT which is semiconducting has different band gap like direct, moderate

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direct and indirect band gap, depending on number of defect edges, so as to close NT [139].

Band structures are highly dependent on crystal structures along with thickness. Figure 9 shows

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2H-MoS2 with completely filled d and empty dxy and d   with a trigonal coordination
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resulting in semiconductor property. However these 4d2 orbitals of 1T- MoS2 are split into

configuration of d   , d over dxy, dxz,dyz (t2g) orbitals. Metallic state of 1T- MoS2 is decided
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by two electrons filling the t2g orbitals [14,156].

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Extensive investigation is conducted to substantiate the semiconducting properties of MoS2

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transport properties with respect to charge and current mobility. For development of electronic

field theoretically density functional theory (DFT) is used along with local density
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approximation (LDA) or Generalized Gradient Approximations (GGA) [157]. Energy required

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in bulk is more as electrons have to move to conduction band and flow change direction in
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comparison to direct where there is no change in direction. This direct gap has also resulted in

enhancing photoluminescence (PL) property at monolayers level, of the tune of 104 as compared

to bulk form. Negligible QY along with weak phonon-assisted band-gap photoluminescence (PL)

is registered in bulk MoS2.. However increment in PL was registered as we move from few-layer

MoS2 to monolayer samples.

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5.2 Optical properties

Unlike graphene, single layer MoS2 is non-centrosymmetric material. It has direct bandgap

which is attributed to role of d-electron orbitals. Additionally high current on-off ratio (108 )

good photoluminescence and efficient valley and spin control by optical helicity [158] are its

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merits. There is a marked difference between bulk and nanoscaled MoS2 optical gap. For single

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layer MoS2 reflectivity difference is a function of absorption constant [159]. Reflection

spectroscopy showed two peaks namely A1 and B1 at 670 nm and 627 nm respectively, where-in

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the energy difference exists due to splitting of VBM at K point. Split in the peaks for multi

layered MoS2 can be attributed to combination of spin-orbit coupling and interlayer coupling.

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While single layer is due to spin-orbit coupling.
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In bulk MoS2, band gap photoluminescence (PL) is attributed to weak phonon assisted process
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with least QY. PL was found to be inversely proportional to number of layers. PL are affected by

strain, modification to band structure and interlayer intercalation. Strain reduces the intensity
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and energy of A1 excitation peak, which has different origins as per the number of layers. In
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single layer MoS2 there are six CBMs and VBMs which are called as “valleys” at K points.

These valleys are again split based on different spins. Normally single layered 2D-MoS2 has
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opposite spins at K and K` valleys in K space. Further because of time reversal symmetry single
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layer MoS2 lacks inversion symmetry and does not allow inter-valley transition. Since, valley
AC

polarization requires the broken inversion symmetry and the spin orbit coupling, both single and

double layered 2H-MoS2 does not show shows valley polarization.

Trion is another unique feature of MoS2 as a semiconductor which has marked effect on intensity

of PL peaks. Trion is a quasiparticle formed during illumination; it consists of an exciton

(electron +hole combination) and an electron leading to formation of negative Trion. This
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phenomenon is considered unique, because all conventional semiconductors normally form

neutral exciton. Extra electrons formed get attached to the already existing exciton forming

negative trion. They are formed due to valley and spin polarized holes and have a large binding

energy (20 meV), which is formed at room temperature [160]. Negative conductivity in

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monolayer MoS2 can be attributed to trion formation. This happens because of many-body

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interactions inside material. This led to formation of charged trion from 2D electron gas [161].

They had heavier effective mass but same charge density. Trions have short life and with long

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transport channels and less mobility. However, it would assist in fabrication of miniaturised

devices and higher quality. Trions assist in control the excitons, its associated PL and spin

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through an applied electric field. Thus, this distinct feature lays the foundation for excitonic and
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spintronic devices.
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5.3. Raman spectroscopy and phonon and photon interaction

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Phonon properties assists in extracting critical information like number of layers, strain in system
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and doping characteristics of any material. Subjecting MoS2 to IR scattering would result in two

modes (A2u and E1u) and E1g, E2g1, A1g, and E2g2 as four Raman-active modes [162,163]. Figure
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10 show the Raman scattering spectrum of 2H-MoS2 single crystal [164]. E2g1 represents

vibration due to two S atoms in-plane vibrating in opposite direction as per Mo between them,
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while A1g mode represents opposite directions vibrations of out-of-plane S atoms. MoS2 forms
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two peaks prominently E2g1 has a value of 383 cm-1 for bulk and 385 cm-1 for monolayer and

A1g was found to be 408 cm-1 for bulk and 404 cm-1 for monolayer. As we progress from

monolayer to bulk, the E2g1 was reported to show anomalous stiffening, due to stronger dielectric

screening and long-range columbic interaction between the Mo atoms. E2g1 undergoes red shift

while A1g mode undergoes a blue shift in accordance with increase in number of layers (see
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Figure 11(a)). This led to weakening of interlayer coupling. Thus, frequency of E2g1 mode

increases as the number of layers decreases while frequency of A1g mode decreases. The A1g

mode is less influenced by interlayer interactions but is a function of electron doping and

adsorbents on MoS2 surface. Additionally, A1g mode displays a red shift, due to stronger

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electron-phonon coupling occurs along with an increase in peak width with increasing doping

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levels. Number of layers can be related to change in frequency or frequency-shift difference,

along with change in energy levels (Figure 11).

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Further when more than one layer is present the shear modes (E2g2) and low-frequency interlayer

U
breathing (B2g2) can also be used to find layer number and evaluate structural properties of MoS2
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flakes with few-layer. Hence, increase in layer number leads to blue shift of shear mode (E2g2),

while the contrary is seen in the breathing mode (B2g2).

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Peaks of Raman spectroscopy is a function of variables like temperature which causes the
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quantifiable red shift of E2g1 and A1g and also direct proportionate bearing on the full width at
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half maximum (FWHM) values and intensity. Strain is another important variable, though A1g is

robust against tensile strain, E2g1 shows a red shift with increasing strain at low strain values with
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softened peaks. However, at higher strain there is a change in crystal symmetry and thus double

degeneracy of E2g1 vibration mode is lifted leading to splitting into two peaks. Further position of
C

each vibration mode of MoS2 from zero-strain reference mode, is dependent on the applied
AC

strain. Another factor effecting peaks is the substrate used for MoS2. Similarly, there are various

factors which affect Raman mode. All factors discussed above are of first order in which non-

zero momentum phonons (q=0) do not participate. When these non –zero phonons participate

then second order resonant process are observed, as electron and phonon dispersions are

involved. MoS2 monolayer, bilayer and few –layers when examined with laser energy of 632 nm
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many new Raman phonon modes were observed. For multilayer MoS2 films, as the laser energy

coincides with the electronic transition at the K point.

Intensities of 2E2g1, E2g1,+A1g and 2A1g phonons modes were strengthened when a 325 nm

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ultraviolet laser was used, due to electron-two-phonon modes coupling. It was discovered that

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for monolayer several high energy bands in U-V frequency range have higher intensity peaks

than A1 and B1 exciton peaks. Few layer MoS2 displayed a stable, rapid and completely

SC
reversible photocurrent response under UV light illumination. These above facts substantiate the

potential of monolayer MoS2 to be used as UV photodetector applications.

5.4 Mechanical properties

U
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In addition to electronic property, valley properties and good mechanical stability is essential for
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application in nanodevices. This includes Young`s modulus, yield stress, bending modulus and
D

buckling phenomenon. Atomically thin MoS2 is a strong semiconducting material can withstand
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elastic deformations up to 25% before rupture [165–167]. Further it has good intrinsic bandgap

[168] and large Seebeck coefficient [169] , in comparison to graphene. Young`s modulus is

which is dependent on h. It is given by  =
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dependent on h, film thickness and factor

 ⁄
ℎ and was found to be 120±30 Nm-1 [166] to 180±60 Nm-1 [165] using nanoindentation
C

experiments. Experiments for analysis of yield stress in single layered MoS2 is very limited,
AC

however nanoindentation experiments have evaluated yields stress as 16.5 to 15 Nm-1 [165,166].

Monolayer MoS2 has an in-plane stiffness of 180 ± 60 Nm–1. It exhibited an effective young’s

modulus compared to steel in the range of 270 ± 100 GPa. Average breaking strength was

reported as 15 ± 3 Nm–1 (23 GPa) and at an effective strain of 6 to 11% breaking occurs [165].
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Bending modulus of MoS2 is greater than graphene due to greater terms resisting the bending

motion, for example single layer of S atom represents 1.75 eV bending modulus It is calculated

by geometric method or by using thin shell theory using Stillinger-Weber (SW) potential and

was found to be 9.61 eV [170] . Bending modulus is calculated using formula below where-in W

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is bending energy density, k is bending curvature and ‘  ’ & ‘  ’ are geometrical parameters in

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the expression. Bending motion of single layered MoS2 will be counteracted by increasing cross-

plane interactions.

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=   +   
   

U
 
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Buckling under uniaxial compression is of paramount importance when being applied to

nanodevices. It is normally evaluated by molecular dynamics simulation and phonon analysis

M

[171,172]. Euler buckling theory states that buckling strain is proportional to bending modulus to
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in-plane stiffness ratio [173]. The buckling critical strain is dependent on length of the layer,

$.&
which is calculated by !" = −
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., which is comparable to theoretical values. Till T < 50 K,

'

critical strain is independent of temperature beyond which it increases with temperature due to
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thermal assisted healing mechanism similar to carbon materials [174] . Buckling critical strain of

single layered MoS2 is twenty times larger than graphene making it better choice. Figure 12
C

shows relationship between the length and the critical strain for different initial strain load [175].
AC

6. Application
MoS2 has found applications in all primary fields like mechanical, electronics and co-opted fields

like photoelectric, electromechanical fields and biochemical fields. We have tried and review
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most of applications for quick understanding along with reasoning. Figure 13 Shows domains

where MoS2 has excelled in performance. Researchers have combined MoS2 with other

successful material, to utilize their advantages to attain better applications. Table 3 shows the

prominent recent combinations.

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U SC
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M
D
TE
C EP
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Table 3 MoS2 composites and their applications

Composition Morphology composition Synthesis method Structure properties Applications Ref

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MoS2 Nanoflakes 50% Re-50% -- Stable distorted low onset HER with low [176]
alloyed with Mo tetragonal potential hydrogen adsorption
rhenium structure of 90 mV energies of

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(Re). Tafel slope 0.06 eV.
of 56 mV

SC
dec−1

MoS2/protonate g-C3N4 electrostatic with a diameter rich reaction photocatalytic [177]

U
d g-C3N4 ultrathin adsorption of about 100 sites, aligned degradation of
nanosheet nanosheets self-assembly nm energy levels organic pollutants

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composites with MoS2 process followed and efficient
by hydrothermal electron transfer

M
method.
Cobalt Covalent MoS2 shell Mo/Co ratio Vapor phase fiber core with HER and OER HER and OER Bi- [178]
Doping in MoS2 fiber network of 8:1 hydrothermal an external onset potentials functionality for

D
to Induce structure with optimal Co layer-structured as -0.02 and Water Splitting High

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fiber doping 1.45 V current densities at
diameters density of low HER and OER
between 1.62 over potentials
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40 and 60 nm
Graphite / graphite, ß- Ultrasonictation whisker ß-MnO2 Oxygen Reduction [179]
C

MnO2 /MoS2 MnO2 structure were 2.9 times Cathode of

and MoS2 in a and 2.4 times Microbial Fuel Cells
AC

proportion of larger than those

20:1:1 of γ-MnO2
respectively.

Fe@MoS2 2D-MoS2 MoS2 powder Solvothermal and Core-shell Efficient Microwave [180]
composite nanosheets zinc acetate heat treatment by structure . microwave absorption and
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dispersed in dihydrate H2/Ar absorption attenuation

porous coin (C4H10O6Zn), environment Of 4.73 GHz
like Fe micro- monoethanola
sheets mine

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Quasi 0D/2D 0D/2D MoS2 powder liquid phase nanosheets have boosted [181]
ZnO/MoS2 ZnO/MoS2 zinc acetate ultrasonic a lateral size in interfacial charge
Nanocomposite dihydrate exfoliation the range of transfer, suppression

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(C4H10O6Zn), 100- of carrier
monoethanola 200 nm. recombination,

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mine ZnO NPs whose extended
size ranges from light absorption
5-10 nm. window

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MoS2 and PPy ultrathin scalable solution- Metallic nature high performance [182]
polypyrrole films on 2D based of 1T phase supercapacitor
(PPy) MoS 2 approach MoS2, mono electrodes.

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composite monolayer layers, strong
interface
interaction

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between PPy

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and
MoS2
.
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6.1 Mechanical

The capability to demonstrate diversified properties by altering structure and number of layers

guarantees its application in various domains. A prominent role is envisaged in industries

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ranging from lubricants to petrochemical industry, space machines and also as mechanical

resonates. Solid lubricants reduce friction between surfaces in many extreme environments

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including those with high and low temperature, high and low pressure, and high shaft speed

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where liquids and oils cannot be used. This is an attractive alternative to fluid lubricants for

minimizing friction and preventing seizing and galling, especially in high or low temperature

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environments where fluids may freeze or vaporize. The application of molybdenum disulfide as a
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lubricant in its bulk form with a hexagonal layer lattice structure has been a great success due to

its low frictional and excellent adherence to many materials. Further, large spacing in lattice
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structure with layered form of construction, weak vander waals bonding along with a good
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thermal stability has increased its success rate as lubricants. These advantages of low friction can
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be attributed to sliding one layer over the other and due to six nonbonding electrons which

completely fill conduction band and confining them to structure, resulting a net positive charge
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on the surface of MoS2 layer. Miura et al. has reported that Amontons-Coulomb law would

explain the lubricity property of molybdenum disulfide nanoflakes. Decrease in coefficient of

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friction, down to 0.003, was observed between two MoS2 surfaces [183]. On the study of
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tribological studies it was proved that nanolamellar [184] structure of MoS2 has maximum

advantage in this direction, which is depicted in Figure 14. MoS2 is most useful where metal to

metal contact exists in boundary lubrication regime, as MoS2 grease thickeners where high loads,
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low speeds, high temperatures and stop-start conditions exists. Major sectors where MoS2 is used

are transportation industry, mining, construction, agriculture and military/aerospace. [65]

MoS2 is not reactive to most metals or acids other than hot and highly concentrated sulphuric and

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nitric acids. They are prone to change in lubrication property with increase in humidity,

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temperature beyond 400 °C (where it oxidizes to MoO3) and also due to smaller particle size as it

leads to increase in oxidation. Increase in oxidation has a considerable effect like increase in

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corrosion, increase in friction and lower shelf life and operating temperature of lubricant due to

splits disulphide decomposition. At 400 °C, molybdenum disulfide exhibits two characteristics;

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significant instability and high coefficient of friction.
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In addition to profound applications of MoS2 grease to minimize friction it is also used as
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nanofluids for efficient heat transfer. They are mixed in specific concentrations in various heat

transfer oils and gear oils to aid in friction and temperature reduction, at boundary lubrication
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conditions found in worm gears, helical gears and hypoid gears.

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Solid nanoparticles were first introduced to nano fluids by Choi et al. [185] to improve its heat
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transfer and thermal characteristics of fluids. Modified ligand is effective to improve lipophilic

property of MoS2 nanoparticles [83]. Thermal conductivity measurements reveal that thermal
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conductivity enhancement reaches up to 38.7% at a mass fraction of only 1.0% at 180 °C.
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However, this property decreases beyond 200 °C as it reaches the flash point of the organic base

oil we use, due to splitting of carbon bonds in base organic oils. Thermal conductivities have

been determined experimentally as a function of mass fraction and temperature and increases

accordingly.
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Thin two-dimensional crystals like graphene and other atomically layered structure were found

prospective in nano-electromechanical applications. Though graphene was limited with single

band gap, it is established as mechanical resonators [186] as mass and pressure sensors. Basic

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properties of large surface area and small masses and high Q-factor are main attributes for

utilizing MoS2 layers as resonators.

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6.2 Bio sensors

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Unique features of MoS2 at monolayer form in domain of electrical, optical and vibration

characteristics along with a high surface to volume ratio has proven to be advantageous for

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formulation of biosensors [187–189]. The high response and sensitivity of MoS2 which is found
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to be greater than 700 for a change of pH by one unit and signal to noise ratios is almost one

order of magnitude greater than graphene. These were few primary reasons for development of
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more field effect biosensors based on MoS2 than from graphene. Development of biosensors
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follow basic principle of monitoring change in electrical field/parameters, Optical

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(photoluminescence), electo-optical, plasmonics, intercalation, when target bio-material flows

over the surface of MoS2. Prerequisite being morphology of MoS2 should be 2D format with
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large surface exposure and can accommodate a large capacity of chemical or bio species.
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As explained before change in charge or mass over the surface of 2D MoS2, leading to an
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electron transfer, leads to transconductance changes [190] like change in threshold voltage in

FET devices. Additionally their ultra-response and ultra-sensitivity is also function of number of

layers of MoS2 , certain specific biospecies/chemicals and concentration which is concept behind

development of label free field effect biosensors for certain proteins DNA [191,192] and also as
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pH sensors. When a top-gated 2D MoS2 FET is immersed in an electrolyte, which can behave as

a top gate electrode, the surface of gate oxide is naturally decorated with OH moieties. Therefore

protonation (low pH) or deprotonation (high pH) changes surface potential of the gate oxide,

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resembling gate effect leading to development of label-free sensor for pH. When target flows

over 2D MoS2, change in current occurs due to charge transfer from target to MoS2 layer with a

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change in Fermi level thus forming gas sensor. When same 2D MoS2 is used as electrode in a

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solution to judge a change in concentration with respect to current ratio/bandgap/charge

transport, it is called electrode bio sensor. On similar lines it is also compared by a reference

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electrode like noble metal to compare changes. 2D MoS2 flakes have affinity towards single
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stranded DNA (SS-DNA) than to a double stranded DNA. When a complementary strand is used

to bring out dye, leaving behind the SS-DNA would lead to a development of Fluorescence
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biosensors to detect level of concentration of SS-DNA.

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When target biomaterials immobilize on 2D MoS2 surface then interaction takes place and would
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call upon change in PL state and energy state thus forming optical based biosensors. These PL

changes are associated with electronic energy transfer (EET) and resonance energy transfer
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(RET) phenomenon [193,194]. Surface roughness and permittivity are few primary influential

factors of field effect biosensors. Utilization of reversible quenching produced due to

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immobilization of some specific tagged biomaterials/biospecies on surface of MoS2, causing an

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indirect PL quenching of tagged fluorophores is another concept behind sensing.

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Plasmonic of highly doped 2D MoS2 flakes can be used for biosensing. In these sensors doping

is a critical issue, they decide the adhesion of biomaterials on to 2D flakes. Further they change

plasmon resonance peaks due to change in charge and surface permittivity.

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There are also various biosensors being engineered utilizing composites of MoS2, which are

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formed in combination with inorganic compounds like graphene, carbon nanotubes, and various

other polymers. With composites in addition to edges and properties of MoS2, another member

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called heterojunctions/junction effects comes into action which has profound effect on the

sensitivity and response.

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Intercalation of few biological ions can reduce bandgap of 2D MoS2, leading to a quench to PL

at different levels. Only precondition for these types of sensors are they have to be engineered
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accurately for specific ions and concentration, additionally an external electrical field which is

required for intercalation process has to be accurate as voltage across the bilipid membrane of
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cell have sufficient electric field to initiate intercalation.

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6.3 Gas sensing

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Junction formed by substrate and MoS2 does sensing using MoS2. One such sensing

component other than electrochemical [195] and biomolecular sensors are gas sensors. MoS2 are
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being used for sensing NO2 [196], ammonia and H2 [197] and many other toxic and non-toxic
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gases. Further basing on same principle pH level detectors are also being designed. Exposure of

junction of the target material will bring on electrical conductivity changes, the sensitivity can be

as low as 1.2 ppm, which can produce high signal to noise ratio. This is further enhanced by the
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gate effect or light illumination. In this, exposure time and the number of layers provides good

chance, since thicker layers define greater charge concentration and higher on/off ratio.

6.4 Chemical application

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MoS2 has same basic chemical property in bulk and nano stage. Due to change in energy levels

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and availability of electrons at nano forms, MoS2 performs as good catalysis agent for

hydrodesulfurization, hydrogen evolution reactions and also as gas sensors. Special applicability

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was monitored when property change in 2D MoS2, with respect to electron availability and edges

of structure with sulfur, lead to development of gas sensors when utilized along with FET

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devices. Adsorption of various moieties on 2D MoS2 often changes its properties as well as
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properties of target molecules. Detection of such changes open up possibility of developing 2D

MoS2 based sensors. It is highly influenced by size and temperature of synthesis as this opens up
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active edges for catalysis process. Unsupported MoS2 is also an important catalyst in heavy oil
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hydrocracking.
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High levels of catalyst dispersion, and hence activity, can usually be achieved by introducing

water- or oil-soluble catalyst precursors to feed that decompose and form active metal sulfide in
EP

situ [12].
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Environmental protection and emission control policy has made super –low sulfur gasoline and
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diesel fuels as inevitable, leading to hydrotreating catalysis process for desulphurization a

mandatory activity, for which metal sulfides [198] have received appreciable attention in recent

decade. This is achieved by two methods; first involves removal of sulfur by designing catalysts
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for hydrodesulphurization [199–201]of high efficiency and later is to improve sulfur tolerance of

catalytic process [201,202]

It is highly influenced by size and temperature of synthesis as this opens up active edges for

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catalysis process. Higher synthesis temperature would increase crystal growth and alter size and

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distribution, along with its Mo and active sites distribution. As crystal size of MoS2 is very small,

numerous Mo atoms are on lattice fringe producing lot of heavy sulfur vacancies creating a

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highly appropriate climate for catalytic hydrogenation process [203]. It was also proven in many

studies that concentration of reactants and pH values also influence microcrystal structure which

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effect morphology and surface area of MoS2 laying marked impact on number of surface defects
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and active sites. Microcrystal nanowires stack of MoS2 with an average length of 30-40 nm,

diameter of 2-3 nm and stack number less than 8 have high degree of active sites (depending on
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synthesis temperature) which leads to an utilization of MoS2 as ultra-desulfurization agent of

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diesel oil [204]. However, increasing hydrothermal temperature beyond a limit leads to
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formation of micro-porosity making surface area of MoS2 very low. Sulfur and sulfur containing

species has to be removed from oil at refineries to meet environmental regulations [205]. MoS2
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and few of its composites acts like hydrodesulfurization reaction (HDR) catalysis due to its

active sites [206]. In few occasions HDR has to be tailored as per the fuel specifications, as in
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few cases Mo-edge active sites are recommended than active S site [207]. Figure 15 shows
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different Mo and S edged MoS2. Water or oil soluble precursors to feed, had an important role in

catalyst dispersion and rate of activity [208]. molybdenum naphthenate (MoNaph) derived MoS2

catalyst is reported to provide higher hydrogenation and HDN activity. However is showed lower
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HDS in comparison to exfoliated MoS2 [209]. It was reported that 3.5 fold increase of activity by

exfoliated MoS2 compared to crystalline MoS2 due to increase in active edge sites [209].

6.5 Catalytic activity

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MoS2 had immense application in chemical industry. Theoretical [210] analysis and later by

experimental [211] results confirmed the credit of HER capability to active edges of MoS2

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planes. Hydrogen is considered as the next clean fuel to replace petrochemical and other fuel

sources. It is an efficient carrier which provides high combustion heat and displays high

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chemical stability in acid environment after certain modification [212]. Thus, this domain
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generated considerable demand for exploration. Production of hydrogen is done in two modes by

using photocatalysis and electrocatalysis method.

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Earlier MoS2 was favorite material due to its inertness to strong material, which is prominent
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feature of electrolyte. However, it was not persuaded further for research, as bulk form MoS2
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exposes mostly closed planes of 3-fold coordinated sulfur atoms to electrolyte. To resolve the

disadvantage, research increased towards enhancement of active sites of MoS2. There were two
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approaches where nanoscale started playing a major role

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• Create more active sites as per mass or on area basis.

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• Electronically modify the active site to make it more active.

In former method where only Mo was active sties, few modifications like doping were

conducted with Co that can lower the hydrogen binding energy at the sulfur thus making both

the Mo and S edge site more active. Another method to achieve same output is to make MoS2 in
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1T-MoS2 form (metallic), as sulfur planes are inactive in 2D-MoS2 form (semiconducting).

Additionally, Li intercalation is also a successful and effective method to increase H2 evolution

current. MoS2 nanotubes is reported to have ability to store large quantity of hydrogen (up to

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1.2 Wt%) by gaseous form and electrochemical storage [213,214].

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It was reported that MoS2 has strong photocatalyst properties, which is used in identifying and

removal of the dyes of textile industry. In this the external light sources excite the electrons and

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shift them from the valance band to the conduction band and then to the target molecule for

transformation. Degradation of methylene blue is an apt example [215]. Various MoS2 based

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nanocomposites are also fabricated for better photocatalytic behaviour [216–219].
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6.6 Optoelectronic devices
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Good mechanical properties, like the high stiffness and breaking stress, along with the unique

optoelectronic properties makes 2D-MoS2 as most promising and suitable material for flexible
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electronics. Only the substrate, has to be investigated more in addition to already existing
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polyimide. Stability in air, tunable doping, low thermal effects and manufacturing cost are few

hindrances. Epoxy based photoresist (SU8) is used as non-degenerate n-doping and integrated
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with flexible MoS2 as encapsulation layer for promising results [220]. Electroluminescence is
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another fundamental feature due to direct bandgap in MoS2 semiconductors, which has
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prominent application for light emitting devices. In these devices, electroluminescence is created

without the formation of p-n junction but by using the excitons. These excitons are created when

highly excited electrons are injected into the conduction band of the material through the

Schottky barrier using hot carriers.

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2D-MoS2 has an application in the photovoltaic cell as an active layer in hetro-junction solar cell

with different substrates like the Al, Si and Ag. It is reported to have attained an efficiency of

5.23% [221]. MoS2 has also proved to have power conversion efficiency of 8.11% when directly

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in photovoltaic cell operation. This can be attributed to its band structure, chemical stability and

dangling bonds. Recently, MoS2 based nanocomposites are utilized as counter electrode in dye-

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sensitized solar cells, achieving energy conversion efficiency of 3.69% [222]. MoS2 forming

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hybrid phototransistor in collaboration with other materials is deemed to open new

optoelectronic applications. The hybridization of 2D material, like indium selenide (lnSe)

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nanosheets and quantum dots of MoS2 has led to development of phototransistor rendering
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photovoltaic efficiency of 3.03% [223].

Additionally, due to direct bandgap properties, MoS2 shows a special property known as
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photothermoelectrical effect. If illumination light of lower energy than the direct bandgap is
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incident at the junction of the electrode and the 2D single layer MoS2, then unlike other
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semiconductors, there is a photocurrent which flows at the junction due to mismatch between the

seeback coefficients. This is called photothermoelectrical effect. It does not follow the
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phenomenon of exciton separation across the Schottky barriers at interface. The seeback

coefficient for SLMoS2 is tuned to -4 x 102 and -1 x 105 µVK-1 [169]. Further theoretical study
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has proved that SLMoS2 shows photothermoelectric properties due to broken inversion
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symmetry and strong spin-orbit interaction [224]

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6.7 Supercapacitors

Porous morphology of MoS2 enhances electrochemical performance due to large contact area

between active materials and electrolyte with fast ion/electron transfer. Elevated qualities like

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high-rate charge carrying capability and long cycling life are expected from MoS2 nanostructure-

based capacitors. Capacitors with mesoporous MoS2 electrodes exhibited an enhanced specific

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capacitance of 376 to 403 F g-1 at a scan rate of 1 mV S-1 with an excellent long term cycling

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stability of retaining 80% of charge even after 2000 cycles [71]. This feature is attributed to two

mechanisms. One is pseudocapacitive behaviour due to Faradaic charge transfer process. Second

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is non-Faradaic process happening at the electrode/electrolyte interface, forming double layer.
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Further it is opined as an pure surface phenomenon [225].
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7. Conclusion and future outlook

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After graphene, MoS2 is considered as an interesting element for investigation by researches due
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to its applications in multiple domains and change of property with transformation from bulk to

nano scale. The review provides a comprehensive appreciation of the MoS2 on lines its structure
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and phases, along-with discussion on various synthesis methods, properties and applications in

various fields. The review is basically formulated as a capsule information, to the ab-initio level
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researcher to comprehend all the important aspects before he takes up the further investigation.
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Emphasis is placed for its role in hydrogen production and hydrodesulfurization process which is

of paramount importance for environmental safety. An overview of few specialist areas like the

vibrational and optical property of the MoS2 and its related applications in various domains were

also discussed. Significantly, some future prospects for use of MoS2-based nanocomposites are
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also talked about. Though the element has huge potential applications, it has large number of

inherent hurdles like the large-scale production of high quality continuous and single layered

MoS2. Actual application and trials in biomedicines are still proven only at laboratory levels.

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Heterojunctions and heterostructures are still under investigations which requires much further

investigations and validation.

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Acknowledgments

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This study was funded by the SERB, Department of Science and Technology project no.

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EMR/2016/002815.

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Conflict of Interest
On behalf of all authors, the corresponding author states that there is no conflict of interest.

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Figure Captions

Figure 1 Number of papers published against MoS2 year wise. (Courtesy:

academic.microsoft.com (as on Oct 18)).

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Figure 2 Structural polytypes of layered MoS2: (a) 2H, (b) 3R, (c) 1T and (d) 2T. a, b and c

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denote the lattice constants of the hexagonal unit cell. Yellow and purple spheres represent S and
Mo atoms, respectively. Reprinted with permission from Ref. [56] Copyright (2014) Elsevier.

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Figure 3 Schematic display of suggested three kinds of metal–atom clustering patterns and
superstructures for the 1T-MoS2: (a) a × 2a chain formation, (b) 2a × 2a diamond shape, and (c)

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a√) X a√) triangular clustering. Reprinted with permission from Ref [47]. Copyright (2013)
AIP Publishing.
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Figure 4 Schematic showing the stacking orders for 2H and 3R phases MoS2 in the single-
layer, bilayer and trilayer forms viewed from side and top. Red spheres represent Mo atoms and
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yellow spheres represent S atoms. Reprinted with permission from Ref [68]. Copyright (2016)
APS Physics Publishing.
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Figure 5 Schematic diagram of chemical vapor disposition method.

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Figure 6 Atomic models of MoS2 nanoplatelets with triangular shape and zigzag-like S-
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terminated edge (1 ), with triangular shape and armchair-like edge (2 ), with hexagonal shape (3 )
and experimentally observed STM images. Reprinted with permission from Ref [123]. Copyright
(2006) ACS Publishing. Reprinted with permission from Ref [120]. Copyright (2000) APS
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Physics Publishing.
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Figure 7 (a) Zigzag simulated single-layer MoS2 nanotube, viewed along the tube axis (middle)
and the c-axis (lower) (b) Armchair simulated single-layer MoS2 nanotube, viewed along the
tube axis (middle) and the c-axis (lower). Reprinted with permission from Ref [134]. Copyright
(2000) American Chemical Societ
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Figure 8 Indirect to direct band gap conversion process. Calculated electronic band structures
of bulk, four-layer, two-layer, and single-layer MoS2 (from left to right). Black arrows indicate
the fundamental transitions. The horizontal dashed lines demonstrate the energy of the highest
occupied states at the K point, which becomes the VBM in single layers. As the number of layers
decrease, the energy at the G point reduces, and it becomes lower than K point state in single
layers, leading to direct gap transition. Reprinted with permission from Ref [155] . Copyright

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(2010) American Chemical Society.

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Figure 9 (a) The building of bulk 1T and 2H MoS2 and corresponding 4d orbital splitting of

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Mo4+. (b, c) Calculated band structures of bulk 1T and 2H phases. Reprinted with permission
from [156] Copyright (2018) John Wiley and Sons.

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Figure 10 Raman scattering spectrum of 2H-MoS2 single crystal showing the anisotropic
character of the vibrational modes. The interlayer shear mode observed at 33.5 cm-1 is typical of
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the trigonal prismatic structure [164]. Open access article distributed under the Creative
Commons Attribution License.
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Figure 11) a) Raman spectra of thin (nL) and bulk MoS2films. The solid line for the 2L spectrum
is a double Voigt fit through data (circles for 2L, solid lines for the rest). (b) Frequencies of E12g
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and A1g Raman modes (left vertical axis) and their difference (right vertical axis) as a function of
layer thickness. (c) Atomic displacements of the four Raman active modes and one IR active
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mode (E1u) in the unit cell of the bulk MoS 2crystal. Reprinted with permission from [163]
Copyright (2010) American Chemical Society..
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Figure 12 Length dependence (log-log) of the buckling critical strain for the SLMoS2 at strain
rates of 109 s−1, 108 s−1, and 107 s−1, respectively. Simulated data are fitted to the function, which
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becomes a length-independent constant a in the limit of nx + ∞. [175] Open access article

distributed under the Creative Commons Attribution License.
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Figure 13 Application of MoS2 in various fields.

Figure 14 Schematic diagram describing the possible mechanism of the tribological action of
nanolamellar disulfides: (1–3) disassembling the nanolamellar particles under shear stress, (4)
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formation of a nanoscale tribofilm [184]. open access article distributed under the Creative
Commons Attribution License.

Figure 15 (a) A ball-model (top view) of a bulk truncated MoS2 hexagon with Mo and S edges

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being exposed. The Mo (blue) atoms at the Mo edges are coordinated to only four S atoms
(yellow), whereas the Mo atoms in the bulk are coordinated to six S atoms. (b)–(d) Side view of
Mo edges. (b) The naked Mo edge in (a). (c) The Mo edges are terminated with S atoms resulting
in S dimers at the edges; i.e., we have 2 S per Mo atom at the edges. In (d) there is only one S

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atom per Mo atom at the edges. In this case, the S edge is reconstructed with respect to the S
dimer model in (c). The S atoms move vertically to the Mo plane and shift laterally with half a
lattice constant. (e) A top view of (d). Models (d) and (e) depict the triangular structure observed

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in the STM images with the S edge atoms being out of registry with the S atoms in the basal
plane of MoS2. Reprinted with permission from Ref [120]. Copyright (2000) APS Physics
Publishing

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List of Tables

Table 1 Comparison of device properties of FETs with 2H phase and 1T phase electrodes . [54]
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Table 2 Various synthesis methods precursors and its applications.

Table 3 MoS2 composites and their applications.
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Highlights

1. Provides an insight into various structures and allotropes of MoS2

2. Discusses various types of synthesis process along with their merits and demerits.

3. Various properties are discussed with proper references for understanding its unique

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features

4. Applications of MoS2 in various domains are illustrated

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