Formation and electronic properties of palladium hydrides and palladium-rhodium dihydride alloys under pressure

We present the formation possibility for Pd-hydrides and Pd-Rh hydrides system by density functional theory (DFT) in high pressure upto 50 GPa. Calculation confirmed that PdH(2) in face-centered cubic (fcc) structure is not stable under compression that will decomposition to fcc-PdH and H(2). But it...

Descripción completa

Detalles Bibliográficos
Autores principales: Yang, Xiao, Li, Huijian, Ahuja, Rajeev, Kang, Taewon, Luo, Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5471222/
https://www.ncbi.nlm.nih.gov/pubmed/28615686
http://dx.doi.org/10.1038/s41598-017-02617-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5471222/
https://www.ncbi.nlm.nih.gov/pubmed/28615686
http://dx.doi.org/10.1038/s41598-017-02617-z

Ejemplares similares