Induced Electronic Changes at the Fluorinated Polyphenylthiols on Nanostructured Au(111) Interfaces
A detailed analysis of fluorinated polyphenylthiols adsorbed on a nanostructured Au(111) is performed on the basis of first principle calculations to understand the interface at the atomic level. Our analysis is focused on the energetics, the density of states projected onto different atoms, the cha...
| Autores: | , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2018 |
| País: | Argentina |
| Institución: | Consejo Nacional de Investigaciones Científicas y Técnicas |
| Repositorio: | CONICET Digital (CONICET) |
| Idioma: | inglés |
| OAI Identifier: | oai:ri.conicet.gov.ar:11336/89455 |
| Acceso en línea: | http://hdl.handle.net/11336/89455 |
| Access Level: | acceso abierto |
| Palabra clave: | DFT ELECTRONIC STRUCTURE INTERFACES POLYPHENYLTHIOLS https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
| Sumario: | A detailed analysis of fluorinated polyphenylthiols adsorbed on a nanostructured Au(111) is performed on the basis of first principle calculations to understand the interface at the atomic level. Our analysis is focused on the energetics, the density of states projected onto different atoms, the charge rearrangements induced by the presence of the adlayer as well as the modifications in the electrostatic potential to gain a deeper insight into the involved processes. |
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