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...
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Auteurs principaux: | , , , , |
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Format: | article |
Langue: | EN |
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Nature Portfolio
2017
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Accès en ligne: | https://doaj.org/article/ea73970a69734f97a9f0a80debb30212 |
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