most citedFirst-principle screening of structural, electronic and hydrogen storage properties of Vanadium based hydride perovskites XVH (X = Li, K)

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cond-mat.mtrl-sci2024★ 42 cited

First-principle screening of structural, electronic and hydrogen storage properties of Vanadium based hydride perovskites XVH (X = Li, K)

Anupam, Shyam Lal Gupta, Sumit Kumar +3

V-based XVH (X = Li,K) hydrides perovskites are investigated for their hydrogen storage capacity using the WIEN2K code. To verify the stability of these hydrides, first-princip…