Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene
| cnea.tipodocumento | ARTÍCULO CIENTÍFICO | |
| dc.contributor.author | Rivera Julio, Jagger | |
| dc.contributor.author | Hernandez Nieves, Alexander David | |
| dc.date.accessioned | 2025-12-11T23:28:42Z | |
| dc.date.available | 2025-12-11T23:28:42Z | |
| dc.date.issued | 2015-04 | |
| dc.description.abstract | 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. | |
| dc.description.institutionalaffiliation | Fil: Rivera Julio, Jagger. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área Investigaciones y Aplicaciones No Nucleares. Gerencia de Física (CAB). Grupo de Teoría de Sólidos; Argentina | |
| dc.description.institutionalaffiliation | Fil: Hernandez Nieves, Alexander David. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área Investigaciones y Aplicaciones No Nucleares. Gerencia de Física (CAB). Grupo de Teoría de Sólidos; Argentina | |
| dc.identifier.issn | 0022-2291 | |
| dc.identifier.uri | https://nuclea.cnea.gob.ar/handle/20.500.12553/8362 | |
| dc.publisher | Springer/Plenum Publishers | |
| dc.relation | info:eu-repo/semantics/reference/hdl/11336/43950 | |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1007/s10909-014-1242-1 | |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007%2Fs10909-014-1242-1 | |
| dc.rights.license | info:eu-repo/semantics/openAccess | |
| dc.rights.license | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | |
| dc.subject | Graphene | |
| dc.subject | Ab Initio | |
| dc.subject | Adatoms | |
| dc.subject | Astronomía | |
| dc.subject | Ciencias Físicas | |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | |
| dc.title | Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene | |
| dc.type | ARTÍCULO | |
| dc.type.version | Versión publicada |
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