Formation and electronic properties of palladium hydrides and palladium-rhodium dihydride alloys under pressure
Abstract 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 PdH2 in face-centered cubic (fcc) structure is not stable under compression that will decomposition to fcc-PdH and H2. B...
| Автори: | , , , , |
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| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Nature Portfolio
2017-06-01
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| Серія: | Scientific Reports |
| Онлайн доступ: | https://doi.org/10.1038/s41598-017-02617-z |