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cond-mat.mtrl-sci2024
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…
cond-mat.mtrl-sci2024
Effects of metals (X = Pd, Ag, Cd ) on structural, electronic, mechanical, thermoelectric and hydrogen storage properties of LiXH perovskites
Anupam, Shyam Lal Gupta, Sumit Kumar +3
Using the WIEN2K code, the hydrogen storage capabilities of lithium compositions like LiXH (X = Pd, Ag, Cd) hydrides are examined. Structural, electrical, mechanical, thermoele…
cond-mat.mtrl-sci2024
Effects of metals (X = Zn, Co) on structure, electronic bands and gravimetric capacity of KXH hydrides
Anupam, Shyam Lal Gupta, Sumit Kumar +3
Using the WIEN2K code, the hydrogen storage capabilities of lithium-based KXH (X = Zn, Co) hydrides perovskites are examined. To verify the stability of these hydrides, first-p…