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 | 77 | 2022 |
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 | 31 | 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 | 22 | 2023 |
Topological Phase Transition in Non-Centrosymmetric LiCaBi Compound: A First-Principles Study S Patel, P Patel, BR Dhori, PK Jha The Journal of Physical Chemistry C 128 (18), 7766-7772, 2024 | 2 | 2024 |
Revisiting Phase Transitions of Yttrium: Insights from Density Functional Theory P Patel, MH Dalsaniya, S Patel, PK Jha arXiv preprint arXiv:2502.07686, 2025 | | 2025 |
Strain engineering tuned vibrational dynamics of 2D transition metal dichalcogenide heterostructures: a first-principles investigation S Kaushik, BR Dhori, S Patel, P Patel, PK Jha, PK Mehta Journal of Physics: Condensed Matter 37 (12), 125402, 2025 | | 2025 |
Pressure-Dependent Thermal and Mechanical Behaviour of a Molecular Crystal of Bromine MH Dalsaniya, D Upadhyay, P Patel, PK Jha, KJ Kurzydłowski, ... Molecules 29 (19), 4744, 2024 | | 2024 |
Exploration of Si–N compounds as high energy density materials P Patel, S Patel, MH Dalsaniya, D Kurzydłowski, KJ Kurzydłowski, PK Jha Physical Chemistry Chemical Physics 26 (38), 25089-25097, 2024 | | 2024 |