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Investigation of adsorption, dissociation, and diffusion properties of hydrogen on the V (1 0 0) surface and in the bulk: A first-principles calculation
To investigate the H(2) purification mechanism of V membranes, we studied the adsorption, dissociation, and diffusion properties of H in V, an attractive candidate for H(2) separation materials. Our results revealed that the most stable site on the V (1 0 0) surface is the hollow site (HS) for both...
Autores principales: | , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6796713/ https://www.ncbi.nlm.nih.gov/pubmed/31641535 http://dx.doi.org/10.1016/j.jare.2019.09.003 |