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Get Free AccessWe present the results of our DFT-based investigations on the effects of the substitution of magnesium with cobalt and nickel in the magnesium hydride on the bulk properties and on the hydrogen adsorption and desorption on the MgH2(001) surface. We present the energetic aspects of these interactions. Our calculations point to the merit of the cobalt and nickel dopants in the magnesium hydride destabilization, which facilitates the hydrogen release.
H. Al-Matrouk, Viorel Chihaia (2015). Theoretical study on the effects of the magnesium hydride doping with cobalt and nickel on the hydrogen release. International Journal of Hydrogen Energy, 40(15), pp. 5319-5325, DOI: 10.1016/j.ijhydene.2015.01.112.
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Type
Article
Year
2015
Authors
2
Datasets
0
Total Files
0
Language
English
Journal
International Journal of Hydrogen Energy
DOI
10.1016/j.ijhydene.2015.01.112
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