| Physical properties of the XScH3 (X: Ca, and Mg) perovskite hydrides and their hydrogen storage applications MK Masood, W Khan, S Bibi, A Kanwal, S Bibi, G Noor, AA Alothman, ... Journal of Physics and Chemistry of Solids 192, 112098, 2024 | 21 | 2024 |
| The structural, elastic, optoelectronic properties and hydrogen storage capability of lead-free hydrides XZrH3 (X: Mg/Ca/Sr/Ba) for hydrogen storage application: a DFT study MK Masood, W Khan, S Bibi, N Khan, RK Pingak, K Tahir, J Rehman, ... Computational and Theoretical Chemistry 1242, 114941, 2024 | 3 | 2024 |
| Theoretical study of structural, mechanical, electronic, optical, and thermal properties of a novel SiS2 monolayer MK Butt, J Rehman, MK Masood, S Bibi, RA Alshgari, ZP Li Materials Science in Semiconductor Processing 190, 109293, 2025 | 1 | 2025 |
| The investigation of the physical properties of nickel-based hydrides and the prediction of their suitability for hydrogen storage application MK Masood, W Elaggoune, K Chaoui, S Bibi, MI Khan, M Usman, ... Materials Science in Semiconductor Processing 186, 109094, 2025 | 1 | 2025 |
| The first principles investigation of free‑lead perovskite-type hydrides CsXH3 (X= Sc, Y) for hydrogen storage application MK Masood, W Khan, S Bibi, O Munir, S Timilsena, J Kanwal, J Rehman, ... Computational and Theoretical Chemistry, 115144, 2025 | | 2025 |
