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Ab initio insight into the physical properties of MgXH3 (X = Co, Cu, Ni) lead-free perovskite for hydrogen storage application

Renewable energy systems are vital for a sustainable future, where solid-state hydrogen storage can play a crucial role. Perovskite hydride materials have attracted the scientific community for hydrogen storage applications. The current work focuses on the theoretical study using density functional...

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Main Authors:	Rehman Z., Rehman M.A., Rehman B., Sikiru S., Qureshi S., Ali E.M., Awais M., Amjad M., Iqbal I., Rafique A., Bibi S.
其他作者:	57225362130
格式:	Article
出版:	Springer 2024
主题:	DFT Elastic constants Electronic structure Hydrogen storage Perovskite hydrides Calcium Compounds Hydrogen Oxides Thermodynamics calcium derivative hydrogen oxide perovskite thermodynamics
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