Hydrogen Storage Capacity of Lead-Free Perovskite NaMTH3(MT=Sc, Ti, V): A DFT Study
Hydrogen is a promising clean energy carrier, but its storage is challenging. In this study, we investigate the potential of NaMTH3 (MT=Sc, Ti, V) hydride perovskite as solid-state hydrogen storage material. Using density functional theory (DFT), we comprehensively analyze their structural, hydrogen...
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