Recent Progress in Computational Design of Single-Atom/Cluster Catalysts for Electrochemical and Solar-Driven N2 Fixation S Ghoshal, A Ghosh, P Roy, B Ball, A Pramanik, P Sarkar ACS Catalysis 12 (24), 15541-15575, 2022 | 43 | 2022 |
Rational design of two-dimensional porous boron phosphide as efficient cathode material for Li and Na ion batteries: A first-principles study A Ghosh, S Pal, P Sarkar The Journal of Physical Chemistry C 126 (11), 5092-5100, 2022 | 28 | 2022 |
Exploring the Ti2CO2–WSe2 Heterostructure as a Direct Z-Scheme Photocatalyst for Water Splitting: A Non-Adiabatic Study S Sannigrahi, A Ghosh, B Ball, P Sarkar The Journal of Physical Chemistry C 126 (49), 20852-20863, 2022 | 22 | 2022 |
Ultrafast Charge Transfer and Delayed Recombination in Graphitic-CN/WTe2 van der Waals Heterostructure: A Time Domain Ab Initio Study A Ghosh, B Ball, S Pal, P Sarkar The Journal of Physical Chemistry Letters 13 (34), 7898-7905, 2022 | 20 | 2022 |
2D Homogeneous Holey Carbon Nitride: An Efficient Anode Material for Li‐ion Batteries With Ultrahigh Capacity A Ghosh, S Mandal, P Sarkar ChemPhysChem 23 (15), e202200182, 2022 | 20 | 2022 |
First-principles calculations to investigate electronic structure and transport properties of CrC monolayers: A new horizon for spintronic application A Ghosh, M Kar, C Majumder, P Sarkar Materials Science and Engineering: B 272, 115379, 2021 | 19 | 2021 |
Arene and functionalized arene based two dimensional organic–inorganic hybrid perovskites for photovoltaic applications M Kar, A Ghosh, R Sarkar, S Pal, P Sarkar Journal of Computational Chemistry 42 (27), 1982-1990, 2021 | 18 | 2021 |
Half metallicity and ferromagnetism of vanadium nitride nanoribbons: a first-principles study A Ghosh, M Kar, C Majumder, P Sarkar Physical Chemistry Chemical Physics 23 (2), 1127-1138, 2021 | 15 | 2021 |
How the Stacking Pattern Influences the Charge Transfer Dynamics of van der Waals Heterostructures: An Answer from a Time-Domain Ab Initio Study A Ghosh, B Goswami, S Pal, P Sarkar The Journal of Physical Chemistry Letters 14 (34), 7672-7679, 2023 | 10 | 2023 |
Point defect-mediated hot carrier relaxation dynamics of lead-free FASnI 3 perovskites A Ghosh, S Kumar, P Sarkar Nanoscale 16 (9), 4737-4744, 2024 | 3 | 2024 |
Emergence of Z-Scheme Photocatalysis for Total Water Splitting: An Improvised Route to High Efficiency A Ghosh, A Pramanik, S Pal, P Sarkar The Journal of Physical Chemistry Letters 15 (26), 6841-6851, 2024 | | 2024 |
Hot Carrier Controlled Nitrogen Fixation Reaction in Metal-Free Boron-Anchored Aza-COF: Insight from Nonadiabatic Molecular Dynamics Simulation P Das, A Ghosh, P Sarkar The Journal of Physical Chemistry Letters 15 (18), 4898-4905, 2024 | | 2024 |
Hot carrier relaxation dynamics of an aza-covalent organic framework during photoexcitation: An insight from ab initio quantum dynamics A Ghosh, P Das, S Kumar, P Sarkar The Journal of Chemical Physics 160 (16), 2024 | | 2024 |
Understanding the origin of the high thermoelectric figure of merit of Zintl-phase KCaBi S Mandal, A Ghosh, P Sarkar Physical Chemistry Chemical Physics 26 (17), 13198-13208, 2024 | | 2024 |