Solid‐state hydrogen storage in lightweight hydrides represents a promising pathway toward a sustainable hydrogen economy. In this work, we employ density functional theory to systematically investigate the structural, electronic, mechanical, dynamical, and hydrogen storage properties of X2BH6 (X = Li, Na, and K) hydri...
A. Gencer, Ahmet Aydogan, O. Surucu et al.· Advanced Theory and Simulati...· 0 citations
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