Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene
We studied the magnetic states of fluorine trimers on graphene by using spin-polarized density functional calculations. We considered the absorption of fluorine atoms on one side of the graphene sheet (cis-clusters). Several possible positions of the fluorine atoms were considered to find the most e...
| Autores: | , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2015 |
| País: | Argentina |
| Institución: | Consejo Nacional de Investigaciones Científicas y Técnicas |
| Repositorio: | CONICET Digital (CONICET) |
| Idioma: | inglés |
| OAI Identifier: | oai:ri.conicet.gov.ar:11336/43950 |
| Acceso en línea: | http://hdl.handle.net/11336/43950 |
| Access Level: | acceso abierto |
| Palabra clave: | Graphene Ab Initio Adatoms https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
| Sumario: | We studied the magnetic states of fluorine trimers on graphene by using spin-polarized density functional calculations. We considered the absorption of fluorine atoms on one side of the graphene sheet (cis-clusters). Several possible positions of the fluorine atoms were considered to find the most energetically favorable configuration, and its different metastable magnetic states were investigated. |
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