[Elsevier] 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

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journalㄩComputational and Theoretical Chemistry

AuthorsㄩM. Kashif Masood; Wahidullah Khan; Shumaila Bibi; Niqab Khan; Redi Kristian Pingak; Kamran Tahir; Javed Rehman; Aboud Ahmed Awadh Bahajjaj

Published dateㄩ2024-12-

DOIㄩ10.1016/j.comptc.2024.114941

PDF linkㄩhttps://www.sciencedirect.com/sc ... 210271X24004808/pdf

Article linkㄩhttps://doi.org/10.1016/j.comptc.2024.114941

Article SourceㄩElsevier BV


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