Mohamed El Amine El Goutni

Light‐Element Vacancy‐Ordered Perovskites A 2 TiH₆ (A = Li, Na, Be, Mg): First‐Principles Design of Advanced Titanium Hydrides for Reversible Hydrogen Storage

Vacancy‐ordered double perovskite hydrides A 2 TiH₆ (A = Li, Na, Be, Mg) were systematically investigated using first‐principles density functional theory to evaluate their structural stability, mechanical performance, electronic properties, and hydrogen storage capabilities for solid‐state energy storage applica...

Comprehensive DFT investigation of K2AgIrX6 (X = Cl, Br, I) double perovskites: from structural stability to predictive telecommunication applications