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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...
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| Publicado no: | J Adv Res |
|---|---|
| Main Authors: | , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Elsevier
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6796713/ https://ncbi.nlm.nih.gov/pubmed/31641535 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jare.2019.09.003 |
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