Samjeet Thakur

Himachal Pradeh University, Chemistry, Graduate Student

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I am Chemist......Beside Chemistry I have expertise in Social Sciences Literature and Love to Study Interdisciplinary Sciences as well.
Address: Mandi, Himachal Pradesh, India

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Iolanda Craifaleanu

Technical University Of Civil Engineering, Bucharest

Maria Grazia Ortore

Università Politecnica delle Marche, Italy

Tobias Takas Shumba

Harare Polytechnic

Abdol-Khalegh Bordbar

California Polytechnic State University at San Luis Obispo

Dr.Yousery Sherif

Mansoura University

Irina Kolesnik

Moscow State University

Isad Saric

University of Sarajevo

Professor Dr. Loutfy H . Madkour

Al-Baha University, Kingdom of Saudi Arabia

Benoit Roux

University of Chicago

Umit Unver

Yalova University

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Papers by Samjeet Thakur

Effects of metals (X = Pd, Ag, Cd ) on structural, electronic, mechanical, thermoelectric and hydrogen storage properties of LiXH$_3$ perovskites

arXiv (Cornell University), Jun 8, 2024

Using the WIEN2K code, the hydrogen storage capabilities of lithium compositions like LiXH 3 (X =... more Using the WIEN2K code, the hydrogen storage capabilities of lithium compositions like LiXH 3 (X = Pd, Ag, Cd) hydrides are examined. Structural, electrical, mechanical, thermoelectric, and hydrogen storage properties of these hydrides are analyzed using first-principles simulations to verify their stability. Structural analysis of these compositions reveals that the hydrides are stable and belong to the cubic space group number (221 Pm-3m). The thermodynamic stability of these hydrides are given in term of gravimetric hydrogen storage capacities. The purpose of the study is to calculate calefaction of formation and breakdown temperature to determine stability of these hydrides. The metallic nature of all compositions are confirmed by band plots and density of states. The elastic properties such as elastic constant, Pugh's ratio, bulk modulus, Poisson's ratio and anisotropy factor are calculated to check the applicability of these compositions for applications involving hydrogen storage. The present paper represents the initial theoretical approach toward the future exploration of these material for hydrogen storage applications.

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Effects of metals (X = Zn, Co) on structure, electronic bands and gravimetric capacity of KXH$_3$ hydrides

arXiv (Cornell University), Jun 8, 2024

Using the WIEN2K code, the hydrogen storage capabilities of lithium-based KXH3 (X = Zn, Co) hydri... more Using the WIEN2K code, the hydrogen storage capabilities of lithium-based KXH3 (X = Zn, Co) hydrides perovskites are examined. To verify the stability of these hydrides, first-principles simulations are employed to examine their structural, electronic, and hydrogen storage capabilities. These compositions' structural investigation shows that the hydrides are stable and part of the cubic space group (221 Pm-3m). We have examined several aspects of these composition's features throughout, using the Perdew-Burke-Ernzerhof generalized gradient approximation. The study identifies stable phases and structural parameters of hydrides using BE equations, assessing thermodynamic stability in terms of hydrogen storage capacities. The metallic nature of these hydrides is confirmed through band structure and density calculations using WIEN2K.

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A newly proposed full Heusler alloy Ir2VZ(Z=Sn, In) suitable for high-temperature thermoelectric applications: A DFT approach

Modern Physics Letters B, Oct 12, 2023

929b Larazotide Acetate, a First In-Class, Novel Tight Junction Regulator, Meets Primary Endpoint and Significantly Reduces Signs and Symptoms of Celiac Disease in Patients on a Gluten-Free Diet: Results of a Multicenter, Randomized, Placebo Controlled Trial

Gastroenterology, 2014

Larazotide Acetate, a First In-Class, Novel Tight Junction Regulator, Meets Primary Endpoint and ... more Larazotide Acetate, a First In-Class, Novel Tight Junction Regulator, Meets Primary Endpoint and Significantly Reduces Signs and Symptoms of Celiac Disease in Patients on a Gluten-Free Diet: Results of a Multicenter, Randomized, Placebo Controlled Trial Chao Wang, Henrik Rasmussen, Wendy Perrow, Ciaran P. Kelly, Daniel Le7ffler, Peter Green, Richard N. Fedorak, Anthony J. DiMarino, Premysl Bercik, Joseph A. Murray, Natalie M. Bachir

Non-equilibrium thermodynamic studies of electro—kinetic effects—XI. Studies with aqueous dioxane

Electrochimica Acta, 1978

Abstract Experimental results for the measurements of electro—osmosis, electro—osmotic pressure d... more Abstract Experimental results for the measurements of electro—osmosis, electro—osmotic pressure difference, streaming potential for dioxane—water (DH 2 O) mixtures (30%, 40%, 50% and 60% by mass of dioxane) using Pyrex sintered disc ( G 3 ) at 25° and at voltages of 40 V to 300 V are reported. The data are analysed in the light of the theory of non-equilibrium thermodynamics. It has been found that the validity of the phenomenological relations describing electro—kinetic effects increases with the decrease in the dielectric constant of the mixture. Second-order coefficients estimated from the electro—osmosis and electro—osmotic pressure difference are reported. Onsager's reciprocity relations have been found to hold good for all the mixtures. It has been found that the concentration dependence of L 22 and L 21 do not conform to the Spiegler's frictional model. Efficiency of electro—kinetic energy conversion (η e ) for electro—osmotic flows has been calculated and it is found that for different composition of dioxane—water mixtures η max was obtained at half the value of the electro—osmotic pressure difference.

Ab-Initio stability of Iridium based newly proposed full and quaternary heusler alloys

Physica B: Condensed Matter

Thermodynamic properties of copper sulphate in urea + water mixtures from EMF measurements

Electrochimica Acta, Sep 1, 1983

Abstract Electromotive force measurements of the cell, Cu-Hg/CuSO 4 (m), urea + water mixtures/Hg... more Abstract Electromotive force measurements of the cell, Cu-Hg/CuSO 4 (m), urea + water mixtures/Hg 2 SO 4 (s)/Hg have been done in four different compositions of urea + water mixtures at 303, 308, 313 and 318 K. These have been utilized to evaluate the standard potentials of the cell, the mean activity coefficient of copper sulphate (molal scale) and transfer energetics (Δ G 0 t , Δ S 0 t and Δ H 0 t ) of copper sulphate from water to the respective urea + water mixtures (11.52, 20.31, 29.64 and 36.83 wt. % of urea). The transfer energetics have been explained in the light of ion-solvent interactions and structural contributions of solvents.

Molar volumes of ammonium chloride—ammonium salt solutions

Journal of Chemical Sciences, Apr 1, 1980

The apparent molar volume of ammonium bromide and ammonium nitrate has been determined in various... more The apparent molar volume of ammonium bromide and ammonium nitrate has been determined in various solutions of ammonium chloride at 30~ from density measurements using an hydrostatic balance. The molar volumes show a linear function of concentration. The values of NH~Br, NH,NOs are larger in NH,CI solutions than in pure water and this has been attributed to the increase in the interactions of NH,Br and NH4NOs with NH,CI. The mean apparent molar volume of NH4Br-NH,CI and NH~NOs-NH,CI solutions have also been estimated directly from density measurements as well as from pure water data using Young's rule. The deviations are approximately studied as excess volume of mixing of NH,Br and NH4NOs with NH4CI. I~yword& Molar volumes; Young's rule; solute-solvent interactions; ammonium chloride ; ammonium salt.

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Titania–Gelatin-Based Nanohybrids: A Versatile Material for Removal of Organic Dyes (Congo Red, Malachite Green, Crystal Violet and Methylene Blue) from Aqueous Solution

Materials horizons, 2018

Removal of organic and synthetic dyes from water bodies is an environmental concern of highest pr... more Removal of organic and synthetic dyes from water bodies is an environmental concern of highest priority as these are stable to biodegradation. A new mesoporous nanohybrid material was synthesized from titania and gelatin backbone in the presence of tetraethoxysilane and sodium dodecyl sulphate via sol–gel technique. These hybrid materials are better adsorbents for eliminating organic dyes such as congo red (CR), malachite green (MG), crystal violet (CV), methylene blue (MB) from their aqueous solutions. High surface area of inorganic material (titania) and the high density of ammonium groups, and carboxylate groups of the bio-polymeric backbone (gelatin) can serve as a selective adsorbent for the exclusion of anionic acid dye (CR) as well as cationic basic dyes (MG, CV, MB). All the four dyes have followed Langmuir isotherm for adsorption. The rate determining studies have followed pseudo-second-order kinetics for all dyes. Experimental studies and their results hold good and are in agreement with kinetic and isotherm modelling. Hybrid materials made are further used for the photocatalytic degradation of dyes by direct exposure to the sunlight to five repeated cycles. The biocompatible and biodegradable nature of the gelatin–titania-based nanohybrid material has a prospective for the various applications in the different fields like water treatment, pH-responsive drug delivery and controlled release, since it has elevated adsorption capacity (>70 mg/g), high pH sensitivity, easy renewal, and good reusability. Hence, an adsorbent that can remove dyes by adsorption and at the same time has the photocatalytic ability is being described in this work.

Titania–Gelatin-Based Nanohybrids: A Versatile Material for Removal of Organic Dyes (Congo Red, Malachite Green, Crystal Violet and Methylene Blue) from Aqueous Solution

Advances in Polymer Sciences and Technology, 2018