A comparative ab initio analysis of the stability, electronic, thermodynamic, mechanical, and hydrogen storage properties of SrZnH3 and SrLiH3 perovskite hydrides through DFT and AIMD Approaches

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

DFT-based first-principles calculations of new NaXH3 (X = Ti, Cu) hydride compounds for hydrogen storage applications

Computational assessment of MgXH3 (X = Al, Sc and Zr) hydrides materials for hydrogen storage applications