Computational screening of BeXH3 (X: Al, Ga, and In) for optoelectronics and hydrogen storage applications

W Khan - Materials Science in Semiconductor Processing, 2024 - Elsevier
New perovskite-type hydrides were first time investigated under consideration of different
physical properties for the optoelectronics and hydrogen storage applications by using the …

The first principles insights of aluminum-based hydrides for hydrogen storage application

W Khan - International Journal of Hydrogen Energy, 2024 - Elsevier
Hydrogen storage is an urgent issue for mobile applications, to overcome this issue solid
materials have a potential role for hydrogen storage applications. Moreover, the perovskite …

A systematic DFT study of the structural, electronic and magnetic properties of 3d transition metal based double perovskites Rb2MCl6 (M= V, Cr, Mn)

BO Alsobhi - Materials Today Communications, 2024 - Elsevier
Transition-metal-based halide double perovskites constitute a new fascinating playground
for investigating the deep relationship between the crystal structure, unique physical …

Mechanical, optoelectronic and thermoelectronic properties of double perovskites halides Rb2TCl6 [T= V, Cr, Mn] for optoelectronics and thermoelectronic …

BO Alsobhi - Journal of Physics and Chemistry of Solids, 2024 - Elsevier
Recent research studies have generated stable lead-free inorganic double perovskites
halides (A 2 TX 6), replacing Pb 2+-containing compounds' risky and unstable structures …