Synergic effects of VLi and Ti doping on hydrogen desorption on LiBH4 (010) surface: A first-principles investigation
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DOI: 10.1016/j.ijhydene.2017.03.171
Abstract: Abstract Ti-doping and Li-vacancy (VLi) crucially affect the dehydrogenation properties of LiBH4 surface. However, theoretical investigations on individual Ti or VLi could not completely explain experimental observations. In this article, we investigated the synergistic effects… read more here.
Keywords: 010 surface; synergic effects; hydrogen; surface ... See more keywords