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New Insight on Hydrogen Evolution Reaction Activity of MoP(2) from Theoretical Perspective

We systematically investigated the hydrogen evolution reaction (HER) of six facets of [Formula: see text] based on the periodic density functional theory (DFT). The calculated values of Gibbs free energy of hydrogen adsorption ([Formula: see text]) indicated that the (111) facet has a good HER activ...

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Detalles Bibliográficos
Autores principales:	Gao, Yuyue, Li, Hongyan, Wang, Jingyu, Ma, Jianyi, Ren, Haisheng
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6781081/ https://www.ncbi.nlm.nih.gov/pubmed/31492045 http://dx.doi.org/10.3390/nano9091270

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