Effects of single– and co– substitution of Ti and Fe on vacancy formation and dehydrogenation from MgH2 (110) surface: Ab initio study
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DOI: 10.1016/j.ijhydene.2019.06.213
Abstract: Abstract In this paper, we studied the effect of single- and co-substitution of Ti and Fe on vacancy formation and hydrogen desorption on MgH2 (110) surface through first principles calculations. In the surface, we calculated… read more here.
Keywords: surface; mgh2 110; vacancy formation; single substitution ... See more keywords