Cargando…
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...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
|
| Materias: | |
| 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 |