In this study, three novel perovskite compounds XLiH
3
(X = Fe, Co, Ni) have been investigated for H
2
storage applications. DFT is incorporated to predict the structural, electronic, thermal, mechanical, and optical properties for hydrogen storage applications. The compounds were optimized at every stage of the...
Wasif Abu Dujana, Md Saiduzzaman, Md. Shahariar Kabir et al.· Modern physics letters B· 0 citations
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