Computational and Theoretical Chemistry
 2024
DOI: 10.1016/j.comptc.2024.114941
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The structural, elastic, optoelectronic properties and hydrogen storage capability of lead-free hydrides XZrH3 (X: Mg/Ca/Sr/Ba) for hydrogen storage application: A DFT study

M. Kashif Masood,
Wahidullah Khan,
Shumaila Bibi
et al.
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