Jalil Ur Rehman

First-principles calculations to investigate structural, electronics, optical and elastic properties of Sn-based inorganic Halide-perovskites CsSnX3 (X = I, Br, Cl) for solar cell applications

Jalil Ur Rehman, Muhammad Usman, Sana Amjid et al. · Computational and Theoretical Chemistry · 2022 · 129 citations

Materials Science, Solar Cell Applications, First-principles Calculations +9

A first-principles study to investigate the physical properties of Sn-based hydride perovskites XSnH3 (X = K, Li) for hydrogen storage application

M.B. Tahir, Muhammad Usman, Jalil Ur Rehman et al. · International Journal of Hydrogen Energy · 2023 · 115 citations

Materials Science, Hydrogen Energy Technology, Engineering +10

Structural, electronics, magnetic, optical, mechanical and hydrogen storage properties of <scp>Ga‐based hydride‐perovskites</scp> <i>X</i> <scp> GaH ₃ </scp> ( <i>X</i>  = K, Li)

Muhammad Usman, Jalil Ur Rehman, Muhammad Bilal Tahir et al. · International Journal of Energy Research · 2022 · 110 citations

Engineering, Bulk Modulus, Solid-state Chemistry +17

Density functional theory study of structural, electronic, optical, mechanical, and thermodynamic properties of halide double perovskites Cs2AgBiX6 (X = Cl, Br, I) for photovoltaic applications

Muhammad Awais Rehman, Jalil Ur Rehman, Muhammad Bilal Tahir · Journal of Physics and Chemistry of Solids · 2023 · 85 citations

Materials Science, Engineering, Perovskite Solar Cell +9

Structural, electronic, optical and mechanical properties of oxide-based perovskite ABO3 (A = Cu, Nd and B = Sn, Sc): A DFT study

Sara Rahman, Abid Hussain, Shahzadi Noreen et al. · Journal of Solid State Chemistry · 2022 · 78 citations

Materials Science, Optical Materials, Engineering +11