This research presents a comprehensive first‐principles study to explore the potential of novel A2CaTiH6 (A = Li, Na, K, and Rb) perovskite‐type hydrides for hydrogen storage applications. The structural, electronic, mechanical, thermodynamic, and hydrogen‐storage properties were evaluated. Thermodynamic stability is v...
Nur Mohammad Riyad Kawsar, Sharmin Islam, Khalifa Raihan Afif et al.· Energy Science & Enginee...· 0 citations
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