| Green CsSnX3 (X = Cl, Br, I)-Derived Quantum Dots for Photovoltaic Applications: First-Principles Investigations B Kshirsagar, N Jaykhedkar, K Jain, S Kishor, V Shah, LM Ramaniah, ... The Journal of Physical Chemistry C 125 (4), 2592-2606, 2021 | 18 | 2021 |
| A comprehensive study of pressure dependent phase transitions in ferroelectric PbTiO3, PbZrO3 and BaTiO3 N Jaykhedkar, N Tripathy, V Shah, B Pujari, S Premkumar Materials Chemistry and Physics 254, 123545, 2020 | 17 | 2020 |
| Understanding the structure-band gap relationship in SrZrS 3 at elevated temperatures: a detailed NPT MD study N Jaykhedkar, R Bystrický, M Sýkora, T Bučko Journal of Materials Chemistry C 10 (33), 12032-12042, 2022 | 5 | 2022 |
| How the temperature and composition govern the structure and band gap of Zr-based chalcogenide perovskites: Insights from ML accelerated AIMD N Jaykhedkar, R Bystrický, M Sýkora, T Bučko Inorganic Chemistry 62 (31), 12480-12492, 2023 | 2 | 2023 |
| First-principles study of polarization and piezoelectric properties of PbZrO3 N Jaykhedkar, V Shah, S Premkumar AIP Conference Proceedings 1942 (1), 2018 | 2 | 2018 |
| Investigating the role of dispersion corrections and anharmonic effects on the phase transition in SrZrS3: A systematic analysis from AIMD free energy calculations N Jaykhedkar, R Bystrický, M Sýkora, T Bučko The Journal of Chemical Physics 160 (1), 2024 | | 2024 |
| Temperature dependent structural and electronic properties of SrZrS3 in distorted perovskite phase N Jaykhedkar, R Bystricky, M Sykora, T Bucko | | 2022 |
| Theoretical study of temperature dependent behaviour of crystal phases in SrZrS3 N Jaykhedkar, M Sykora, T Bucko | | 2020 |
Tomas BuckoComenius university in Bratislava, Slovak academy of sciencesVerified email at uniba.sk
