Nature of the bonding, surface relaxation and charge transfer of Au dimmers on an MgO(100) surface
First principles electronic structure investigations of the nature of adsorption, relaxation of the atoms near the adsorption site, and the charging of the Au2 particle on the relaxed-rumpled MgO(100) surface have been carried out within the density functional theory-cluster-embeddingapproach. The i...
Uloženo v:
| Vydáno v: | Revista Mexicana de Física |
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| Hlavní autoři: | , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Sociedad Mexicana de Física A.C.
2012
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| Témata: | |
| On-line přístup: | https://www.redalyc.org/articulo.oa?id=57023526011 |
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