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Mechanical and electronic properties of van der Waals layered hcp PdH(2)

Mechanical and electronic properties of palladium dihydrides (PdH(2)) as a function of pressure were studied by ab initio calculations based on density functional theory (DFT). The ab initio random structure searching technique was employed for screening potential PdH(2) crystal structures under hig...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Liu, Zeliang, Ahuja, Rajeev, Li, Huijian, Luo, Wei
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7229119/
https://ncbi.nlm.nih.gov/pubmed/32415156
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-61385-5
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