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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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Materias: | |
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 |