B. Khalil

First-principles to explore the hydrogen storage properties of XPtH3 (X=Li, Na, K, Rb) perovskite type hydrides

Computational insights of double perovskite X2CaCdH6 (X = Rb and Cs) hydride materials for hydrogen storage applications: A DFT analysis

First principle calculations for improving desorption temperature in Mg16H32 doped with Ca, Sr and Ba elements

Kinetic Monte Carlo and density functional study of hydrogen diffusion in magnesium hydride MgH2