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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2017
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| Materias: | |
| 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 |