Catalytic mechanism of in-situ Ni/C co-incorporation for hydrogen absorption of Mg

Ni and carbon materials exhibit remarkable catalysis for the hydriding reaction of Mg. But the underlying mechanism of Ni/C hybrid catalysis is still unclear. In this work, density functional theory (DFT) calculation is applied to investigate the effect of Ni/C co-incorporation on the hydriding reac...

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Bibliographic Details
Main Authors: Bogu Liu, Bao Zhang, Haixiang Huang, Xiaohong Chen, Yujie Lv, Zhongyu Li, Jianguang Yuan, Ying Wu
Format: Article
Language:English
Published: KeAi Communications Co., Ltd. 2023-05-01
Series:Journal of Magnesium and Alloys
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2213956721002358