Exploring BaMg2XH8 (X = V, Mn, Fe, and Co) hydrides for solid-state hydrogen storage: Mechanical, electronic, optical, and phonon perspectives

The development of safe, efficient solid-state hydrogen storage media remains a critical hindrance in the transition to a hydrogen economy. In this study, we employed Density Functional Theory (DFT) with a Hubbard U correction to systematically investigate the structural, mechanical, electronic, and...

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主要な著者:	El Houcine Akarchaou, Mohammed Hadhoud, Oumayma Eddahmani, Abdelghafour El Mekkaouy, Samir Chtita, Rodouan Touti
フォーマット:	Artigo
言語:	Inglês
出版事項:	KeAi Communications Co., Ltd. 2026-06-01
シリーズ:	Journal of Magnesium and Alloys
主題:	Energy materials Hydrogen storage materials Density Functional Theory (DFT) Mechanical behavior Electronic structure Structural properties
オンライン･アクセス:	http://www.sciencedirect.com/science/article/pii/S2213956726001143
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