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: Xiao Yang, Huijian Li, Rajeev Ahuja, Taewon Kang, Wei Luo
Format: article
Langue:EN
Publié: Nature Portfolio 2017
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R
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Accès en ligne:https://doaj.org/article/ea73970a69734f97a9f0a80debb30212
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