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Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26976
Abstract: Quantum chemical calculations have been carried out to investigate the hydrogen storage capacity of Be2(NLi)2 cluster. Calculations reveal that the cluster can take up to eight H2 molecules reaching a maximum gravimetric density of 21.04 wt%.…
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Keywords:
be2 nli;
hydrogen storage;
capacity be2;
beryllium ... See more keywords