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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7229119/ https://www.ncbi.nlm.nih.gov/pubmed/32415156 http://dx.doi.org/10.1038/s41598-020-61385-5 |