Theoretical Study of Hydrogen on LaFeO(3) (010) Surface Adsorption and Subsurface Diffusion

Based on density functional theory, this paper studies the adsorption and the subsurface occupation by H on LaFeO(3) (010) surface and their corresponding transition states. As shown from the results, the best storage positions of hydrogen are on the O top position of the LaFeO(3) (010) surface and...

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Detalles Bibliográficos
Autores principales: Pan, Changchang, Chen, Yuhong, Zhang, Meiling, Yuan, Lihua, Zhang, Cairong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6316970/
https://www.ncbi.nlm.nih.gov/pubmed/30469483
http://dx.doi.org/10.3390/ma11122347

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6316970/
https://www.ncbi.nlm.nih.gov/pubmed/30469483
http://dx.doi.org/10.3390/ma11122347

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