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Author

H. Baaziz

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Aug 2026

Cation-dependent hydrogen vacancy stability in XNH 4 (X = Li, Na, K): thermodynamic crossover, chemical potential, and implications for hydrogen release

In this theoretical study, we employ first-principles density functional theory calculations using the generalized gradient approximation to systematically investigate the structural, electronic, and thermodynamic properties of alkali–ammonium compounds XNH 4 (X = Li, Na, K) intended for solid-state hydrogen storag...

T. Saadi, Z. Charifi, T. Ghellab et al. · 0 citations

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