Dehydrogenation of Alkali Metal Aluminum Hydrides MAlH<sub>4</sub> (M = Li, Na, K, and Cs): Insight from First-Principles Calculations

Dehydrogenation of Alkali Metal Aluminum Hydrides MAlH<sub>4</sub> (M = Li, Na, K, and Cs): Insight from First-Principles Calculations

Complex aluminum hydrides with high hydrogen capacity are among the most promising solid-state hydrogen storage materials. The present study determines the thermal stability, hydrogen dissociation energy, and electronic structures of alkali metal aluminum hydrides, MAlH<sub>4</sub> (M =...

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Bibliographic Details
Main Authors: Rui Zhou, Xiaohua Mo, Yong Huang, Chunyan Hu, Xiaoli Zuo, Yu Ma, Qi Wei, Weiqing Jiang
Format: Article
Language:English
Published: MDPI AG 2023-03-01
Series:Batteries
Subjects:
first-principles calculations
alkali metal aluminum hydrides
cation electronegativity
dehydrogenation performance
electronic structure
Online Access:https://www.mdpi.com/2313-0105/9/3/179

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