| Adsorption performance of C12, B6N6 and Al6N6 nanoclusters towards hazardous gas molecules: a DFT investigation for gas sensing and removal application S Patel, P Patel, D Chodvadiya, NN Som, PK Jha Journal of Molecular Liquids 352, 118702, 2022 | 54 | 2022 |
| An Ab‐initio Study of the C18 nanocluster for Hazardous Gas Sensor Application S Vadalkar, D Chodvadiya, NN Som, KN Vyas, PK Jha, B Chakraborty ChemistrySelect 7 (3), e202103874, 2022 | 53 | 2022 |
| Enhancement in the catalytic activity of two-dimensional α-CN by B, Si and P doping for hydrogen evolution and oxygen evolution reactions D Chodvadiya, NN Som, PK Jha, B Chakraborty International Journal of Hydrogen Energy 46 (43), 22478-22498, 2021 | 31 | 2021 |
| Potential anodic application of 2D h-AlC for Li and Na-ions batteries D Chodvadiya, U Jha, P Śpiewak, KJ Kurzydłowski, PK Jha Applied Surface Science 593, 153424, 2022 | 30 | 2022 |
| Theoretical inspection of Ni/α-SiX (X= N, P, As, Sb, Bi) Single-Atom catalyst: Ultra-high performance for hydrogen evolution reaction D Chodvadiya, PK Jha, B Chakraborty International Journal of Hydrogen Energy 47 (99), 41733-41747, 2022 | 22 | 2022 |
| Defects and doping engineered two-dimensional o-B2N2 for hydrogen evolution reaction catalyst: insights from DFT simulation D Chodvadiya, MH Dalsaniya, NN Som, B Chakraborty, D Kurzydłowski, ... International Journal of Hydrogen Energy 48 (13), 5138-5151, 2023 | 19 | 2023 |
| A quantum mechanical prediction of C24 fullerene as a DNA nucleobase biosensor SK Jana, D Chodvadiya, NN Som, PK Jha Diamond and Related Materials 129, 109305, 2022 | 17 | 2022 |
| Transition metal atoms anchored 2D holey graphyne for hydrogen evolution reaction: Acumen from DFT simulation D Chodvadiya, B Chakraborty, PK Jha International Journal of Hydrogen Energy 48 (48), 18326-18337, 2023 | 15 | 2023 |
| Two-dimensional α-SiX (X= N, P) monolayers as efficient anode material for Li-ion batteries: A first-principles study P Patel, S Patel, D Chodvadiya, MH Dalsaniya, D Kurzydłowski, PK Jha ACS Applied Nano Materials 6 (3), 2103-2115, 2023 | 15 | 2023 |
| Density functional theory investigation of thermal conductivity in α-CN and α-CP monolayers: implications for thermal management of electronic devices TK Gajaria, D Chodvadiya, PK Jha ACS Applied Nano Materials 4 (5), 4474-4483, 2021 | 12 | 2021 |
| Rational design of h‐AlC monolayer as anode material for Mg‐ion battery: A DFT study N Shekh, D Chodvadiya, PK Jha Energy Storage 5 (3), e415, 2023 | 11 | 2023 |
| Adsorption of HCN on pristine and Al/Si/P decorated C18 nanocluster: a first principles study S Vadalkar, D Chodvadiya, KN Vyas, PK Jha Materials Today: Proceedings 67, 229-237, 2022 | 10 | 2022 |
| DFT stimulation and experimental insights of chiral Cu (ii)–salen scaffold within the pocket of MWW-zeolite and its catalytic study P Lakhani, D Chodvadiya, PK Jha, VK Gupta, D Trzybiński, K Wozniak, ... Physical Chemistry Chemical Physics 25 (20), 14374-14386, 2023 | 9 | 2023 |
| A density functional theory study on the assessment of α-CN and α-CP monolayers as anode material in Li-ion batteries P Patel, S Patel, D Chodvadiya, MH Dalsaniya, D Kurzydłowski, ... Journal of Energy Storage 71, 108074, 2023 | 7 | 2023 |
| Exploring the hydrogen storage possibility of the pristine, defected and metals decorated o-B2N2 monolayers: Insights from DFT simulations D Chodvadiya, S Kanabar, B Chakraborty, PK Jha International Journal of Hydrogen Energy 53, 958-968, 2024 | 6 | 2024 |
| Adsorption performance of CO, NO and NH3 hazardous gas molecules over B9N9 and Al9N9 nanorings: Acumen from density functional theory J Panchal, A Gauswami, D Chodvadiya, H Jadeja, PK Jha Materials Chemistry and Physics 311, 128565, 2024 | 6 | 2024 |
| Evidence of topological phase transition with excellent catalytic activity in the AgCaAs Heusler alloy: A first-principles investigation BR Dhori, D Chodvadiya, PK Jha The Journal of Physical Chemistry C 127 (31), 15461-15473, 2023 | 6 | 2023 |
| Strain effect on Mexican-hat dispersion and electronic band gap of 2D α-CN D Chodvadiya, SB Pillai, B Chakraborty, PK Jha AIP Conference Proceedings 2265 (1), 2020 | 6 | 2020 |
| Cyclo [18] carbon as a hazardous gas scavenger: effect of boron and nitrogen doping on molecular adsorption S Vadalkar, D Chodvadiya, NN Som, KN Vyas, PK Jha ChemistrySelect 8 (23), e202204862, 2023 | 5 | 2023 |
| Second-row transition metals decorated cyclo [18] carbon: Single-atom catalysts for excellent hydrogen evolution reaction ZD Ponkiya, D Chodvadiya, PK Jha Materials Science in Semiconductor Processing 176, 108351, 2024 | 1 | 2024 |
Prafulla K JhaProfessor of Physics, The M.S. University of Baroda, VadodaraVerified email at msubaroda.ac.in
