| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7715800 | International Journal of Hydrogen Energy | 2015 | 7 Pages |
Abstract
We 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.
Related Topics
Physical Sciences and Engineering
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Electrochemistry
Authors
Hasan S. AlMatrouk, Viorel Chihaia,