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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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Detalles Bibliográficos
Autores principales:	Qin, Jiayao, Hao, Chongyan, Wang, Dianhui, Wang, Feng, Yan, Xiaofeng, Zhong, Yan, Wang, Zhongmin, Hu, Chaohao, Wang, Xiaotian
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2019
Materias:	Original Article
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

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