Promotion Mechanisms of LiBH4 Dehydrogenation Dominated by Charge Redistribution

LiBH4 is a promising solid-state hydrogen storage material, but its complex dehydrogenation reaction mechanism severely hinders the regulation of dehydrogenation barriers and reversibility. To elucidate the micro-mechanism of its dehydrogenation reaction, the potential of mean force, ab initio molec...

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Veröffentlicht in:	Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2024
Hauptverfasser:	Yang, Weijie, Ge, Han, Yao, Tongao, Chen, Qiyong, Liu, Feiyang, Huang, Mingye, Sun, Jun Wei, Dong, Shuai, Liu, Yanfeng, Gao, Zhengyang
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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