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Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality
We have computed the surface energies, work functions, and interlayer surface relaxations of clean (111), (100), and (110) surfaces of Al, Cu, Ru, Rh, Pd, Ag, Pt, and Au. We interpret the surface energy from liquid metal measurements as the mean of the solid-state surface energies over these three l...
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| Publicat a: | Proc Natl Acad Sci U S A |
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| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
National Academy of Sciences
2017
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5676929/ https://ncbi.nlm.nih.gov/pubmed/29042509 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1713320114 |
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