Dual-silicon-doped graphitic carbon nitride sheet: An efficient metal-free electrocatalyst for urea synthesis P Roy, A Pramanik, P Sarkar The Journal of Physical Chemistry Letters 12 (44), 10837-10844, 2021 | 53 | 2021 |
Graphitic carbon nitride sheet supported single-atom metal-free photocatalyst for oxygen reduction reaction: A first-principles analysis P Roy, A Pramanik, P Sarkar The Journal of Physical Chemistry Letters 12 (11), 2788-2795, 2021 | 50 | 2021 |
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 |
Substitution induced carrier switching in S, N-heteroacene molecular junctions: A first principle analysis P Roy, S Biswas, A Pramanik, P Sarkar Chemical Physics Letters 708, 87-93, 2018 | 14 | 2018 |
Computational studies on the hydride transfer barrier for the catalytic hydrogenation of CO2 by different Ni(II) complexes S Biswas, A Chowdhury, P Roy, A Pramanik, P Sarkar Journal of Molecular Modeling 24, 1-9, 2018 | 11 | 2018 |
Ru/Rh catalyzed selective hydrogenation of CO 2 to formic acid: a first principles microkinetics analysis S Ghoshal, P Roy, A Pramanik, P Sarkar Catalysis Science & Technology 12 (23), 7219-7232, 2022 | 10 | 2022 |
Computational studies on the keto-enol tautomerism of acetylacetone P Roy, S Biswas, A Pramanik, P Sarkar Int. J. Res. Social. Nat. Sci 2, 2455-5916, 2017 | 10 | 2017 |
Single B-vacancy enriched α 1-borophene sheet: an efficient metal-free electrocatalyst for CO 2 reduction P Roy, S Ghoshal, A Pramanik, P Sarkar Physical Chemistry Chemical Physics 25 (36), 25018-25028, 2023 | 6 | 2023 |
Polaron Induced Conductance Switching in Conjugated Oligophenylene: A First-Principles Analysis P Roy, A Pramanik, P Sarkar The Journal of Physical Chemistry A 126 (2), 318-324, 2022 | 1 | 2022 |
Photoinduced conductance and carrier switching in homoannulene ester derivatives: A theoretical exploration S Ghosh, P Roy, A Pramanik, P Sarkar Computational and Theoretical Chemistry 1233, 114509, 2024 | | 2024 |
Tuning Electronic Energy Levels at Nanointerfaces: Effects on Catalysis and Molecular Conductance P Roy Visva-Bharati, 2023 | | 2023 |