First-principle screening of structural, electronic and hydrogen storage properties of Vanadium based hydride perovskites XVH${}_3$ (X = Li, K)

Anupam, Shyam Lal Gupta, Sumit Kumar +3

V-based XVH${}_3$ (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…