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 |
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, 2022 | 11 | 2022 |
An ab-initio investigation of transition metal-doped graphene quantum dots for the adsorption of hazardous CO2, H2S, HCN, and CNCl molecules A Kanzariya, S Vadalkar, SK Jana, LK Saini, PK Jha Journal of Physics and Chemistry of Solids 186, 111799, 2024 | 7 | 2024 |
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 |
Cyclo [16] carbon through the lens of density functional theory: Role of impurity decoration in hydrogen evolution reaction A Kanzariya, S Vadalkar, LK Saini, PK Jha International Journal of Hydrogen Energy 71, 400-410, 2024 | | 2024 |
Interaction study of CO and NO pollutant gases with pristine, defected and doped α-CX (X= N, P) monolayers using density functional theory H Mistry, D Chodvadiya, S Vadalkar, KN Vyas, PK Jha Surfaces and Interfaces 46, 103958, 2024 | | 2024 |
Interaction Study of Pollutant CO and NO Gases with Pristine, Defected and Doped α-CX (X= N, P) Monolayers using Density Functional Theory H Mistry, D Chodvadiya, S Vadalkar, KN Vyas, PK Jha | | |