Showkat H Mir

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Jayant K. SinghPoonam and Prabhu Goel Chair Professor & Head, Chemical Engineering, Indian Institute of TechnologyVerified email at iitk.ac.in
Vivek Kumar YadavAssistant Professor of Chemistry, University of Allahabad (UoA), IndiaVerified email at allduniv.ac.in
Prafulla K JhaProfessor of Physics, The M.S. University of Baroda, VadodaraVerified email at msubaroda.ac.in
Prakash C JhaCentral University of GujaratVerified email at cug.ac.in
rajeev ahujaUppsala universityVerified email at physics.uu.se
Sudip ChakrabortyReader, Harish-Chandra Research Institute (HRI), Allahabad, IndiaVerified email at hri.res.in
Dr. Shweta DabhiDepartment of Physics, PDPIAS, Charotar University of Science and TechnologyVerified email at charusat.ac.in
Som NarayanPost-doctoral fellow under Maria Sklodowska-Curie CO-FUND scheme, Institute of High Pressure PhysicsVerified email at msubaroda.ac.in
Gopakumar ThiruvancherilIndian Institute of Technology KanpurVerified email at iitk.ac.in
Himadri R. SoniVerified email at indrashiluniversity.edu.in
B. Moses Abraham, PhD, MRSCDepartment of Chemical Engineering, IIT KanpurVerified email at iitk.ac.in
Vanshree PareyICIQ, SpainVerified email at iitk.ac.in
Praveenkumar SappidiAssistant Professor at Indian Institute of Technology JodhpurVerified email at iitj.ac.in

Showkat H Mir

Harish Chandra Research Institute

Verified email at hri.res.in - Homepage

Materials for Sustainable Energy Solutions: Nano Electronics: Mathematical Physics: Bulk and Nano


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Recent Advances in the Carrier Mobility of Two-Dimensional Materials: A Theoretical Perspective SH Mir, VK Yadav, JK Singh ACS Omega 5 (24), 14203–14211, 2020	124	2020
Two-dimensional boron: Lightest catalyst for hydrogen and oxygen evolution reaction SH Mir, S Chakraborty, PC Jha, J Wärnå, H Soni, PK Jha, R Ahuja Applied Physics Letters 109 (5), 2016	91	2016
A comparative study of hydrogen evolution reaction on pseudo-monolayer WS 2 and PtS 2: insights based on the density functional theory SH Mir, S Chakraborty, J Wärnå, S Narayan, PC Jha, PK Jha, R Ahuja Catalysis Science & Technology 7 (3), 687-692, 2017	56	2017
Boron–carbon–nitride sheet as a novel surface for biological applications: insights from density functional theory SH Mir, VK Yadav, JK Singh ACS omega 4 (2), 3732-3738, 2019	30	2019
Static and dynamical properties of heavy actinide monopnictides of lutetium SH Mir, PC Jha, MS Islam, A Banerjee, W Luo, SD Dabhi, PK Jha, ... Scientific reports 6 (1), 29309, 2016	28	2016
High-Throughput Screening of Atomic Defects in MXenes for CO₂ Capture, Activation, and Dissociation V Parey, BM Abraham, SH Mir, JK Singh ACS Applied Materials & Interfaces 13 (30), 35585-35594, 2021	26	2021
A computational study of structural, electronic and carrier mobility of boron and phosphorus/nitrogen co-doped graphene VK Yadav, SH Mir, JK Singh Physica B: Condensed Matter 571, 291-295, 2019	21	2019
Density functional theory study of aspirin adsorption on BCN sheets and their hydrogen evolution reaction activity: a comparative study with graphene and hexagonal boron nitride VK Yadav, SH Mir, JK Singh ChemPhysChem 20 (5), 687-694, 2019	18	2019
A simple molecular design for tunable two-dimensional imine covalent organic frameworks for optoelectronic applications VK Yadav, SH Mir, V Mishra, TG Gopakumar, JK Singh Physical Chemistry Chemical Physics 22 (37), 21360-21368, 2020	10	2020
Exploring the electronic, charge transport and lattice dynamic properties of two-dimensional phosphorene SH Mir Physica B: Condensed Matter 572, 88-93, 2019	10	2019
Ab initio study of phase stability, lattice dynamics and thermodynamic properties of magnesium chalcogenides SH Mir, PC Jha, S Dabhi, PK Jha Materials Chemistry and Physics 175, 54-61, 2016	9	2016
Effect of polystyrene length for the extraction of Gd3+ and UO22+ ions using dicyclohexano crown ether (DCH18C6) with octanol and nitrobenzene: A molecular dynamics study P Sappidi, SH Mir, JK Singh Journal of Molecular Liquids 271, 166-174, 2018	8	2018
Efficient CO₂ Capture and Activation on Novel Two-Dimensional Transition Metal Borides SH Mir, VK Yadav, JK Singh ACS Applied Materials & Interfaces 14 (26), 29703-29710, 2022	7	2022
Electronic properties and superior CO2 capture selectivity of metal nitride (XN) and phosphide (XP)(X= Al, Ga and In) sheets VK Yadav, SH Mir, JK Singh Applied Surface Science 527, 146445, 2020	7	2020
Unraveling the stacking effect and stability in nanocrystalline antimony through DFT SH Mir, VK Yadav, JK Singh Journal of Physics and Chemistry of Solids 136, 109156, 2020	6	2020
A computational study of physical, electronic, thermal and transport properties of one-dimensional boron and boron nitride systems SH Mir Journal of Solid State Chemistry 297, 122037, 2021	5	2021
First principles study of electronic, lattice dynamic, and thermal properties of single layer phosphorene SH Mir, SB Pillai, NN Som, PC Jha, PK Jha Advanced Materials Research 1141, 210-214, 2016	4	2016
Rationally Designed Semiconducting 2D Surface-Confined Metal–Organic Network V Mishra, SH Mir, JK Singh, TG Gopakumar ACS Applied Materials & Interfaces 12 (45), 51122-51132, 2020	3	2020
Pressure-Driven Band Gap Narrowing in Rb₂AgPdCl₅: Toward the Shockley–Queisser Limit of Lead-free Double Perovskites SH Mir, S Chakraborty The Journal of Physical Chemistry C 127 (39), 19728-19734, 2023	2	2023
Pressure Driven Optical Transitions in Columnar-Ordered Cs₂AgPdCl₅: Phase Transformation-Independent Piezochromism SH Mir, S Chakraborty The Journal of Physical Chemistry C 127 (30), 14805-14811, 2023	1	2023

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