First-principles investigation of LaMg(2)Ni and its hydrides

Using first-principles density functional theory calculations, the electronic structures of LaMg(2)Ni and its hydrides LaMg(2)NiH(4.5) (intermediate phase) and LaMg(2)NiH(7) (fully hydrogenated phase), as well as the H adsorption on LaMg(2)Ni (100) surface were investigated. For comparision, the ato...

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Detalles Bibliográficos
Autores principales: Jiang, Weiqing, Chen, Yujie, Mo, Xiaohua, Li, Xinglang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7376239/
https://www.ncbi.nlm.nih.gov/pubmed/32699253
http://dx.doi.org/10.1038/s41598-020-69113-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7376239/
https://www.ncbi.nlm.nih.gov/pubmed/32699253
http://dx.doi.org/10.1038/s41598-020-69113-9

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