A First Principles Study of H(2) Adsorption on LaNiO(3)(001) Surfaces

The adsorption of H(2) on LaNiO(3) was investigated using density functional theory (DFT) calculations. The adsorption sites, adsorption energy, and electronic structure of LaNiO(3)(001)/H(2) systems were calculated and indicated through the calculated surface energy that the (001) surface was the m...

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Detalles Bibliográficos
Autores principales: Pan, Changchang, Chen, Yuhong, Wu, Na, Zhang, Meiling, Yuan, Lihua, Zhang, Cairong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5344605/
https://www.ncbi.nlm.nih.gov/pubmed/28772396
http://dx.doi.org/10.3390/ma10010036

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5344605/
https://www.ncbi.nlm.nih.gov/pubmed/28772396
http://dx.doi.org/10.3390/ma10010036

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