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Magnesium vacancies and hydrogen doping in MgH2 for improving gravimetric capacity and desorption temperature

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Published in 2020 at "International Journal of Hydrogen Energy"

DOI: 10.1016/j.ijhydene.2020.10.078

Abstract: Abstract Performing an ab initio analysis, we inspect the effect of magnesium vacancies and hydrogen doping on the magnesium hydride (MgH2). The Korringa – Kohn – Rostoker method integrated with the coherent potential approximation is… read more here.

Keywords: hydrogen doping; mgh2; desorption temperature; magnesium vacancies ... See more keywords