Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene

Autores
Rivera Julio, Jagger; Hernandez Nieves, Alexander David
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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.
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
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
Materia
Graphene
Ab Initio
Adatoms
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/43950
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/43950
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Ab Initio Spin-Polarized calculations of Fluorine Trimers on GrapheneRivera Julio, JaggerHernandez Nieves, Alexander DavidGrapheneAb InitioAdatomshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We 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.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; ArgentinaFil: 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; ArgentinaSpringer/Plenum Publishers2015-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/43950Rivera Julio, Jagger; Hernandez Nieves, Alexander David; Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene; Springer/Plenum Publishers; Journal of Low Temperature Physics; 179; 1-2; 4-2015; 3-80022-2291CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1007/s10909-014-1242-1info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007%2Fs10909-014-1242-1info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:08:41Zoai:ri.conicet.gov.ar:11336/43950instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 10:08:41.341CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene
title Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene
spellingShingle Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene
Rivera Julio, Jagger
Graphene
Ab Initio
Adatoms
title_short Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene
title_full Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene
title_fullStr Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene
title_full_unstemmed Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene
title_sort Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene
dc.creator.none.fl_str_mv Rivera Julio, Jagger
Hernandez Nieves, Alexander David
author Rivera Julio, Jagger
author_facet Rivera Julio, Jagger
Hernandez Nieves, Alexander David
author_role author
author2 Hernandez Nieves, Alexander David
author2_role author
dc.subject.none.fl_str_mv Graphene
Ab Initio
Adatoms
topic Graphene
Ab Initio
Adatoms
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv 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.
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
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
description 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.
publishDate 2015
dc.date.none.fl_str_mv 2015-04
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/43950
Rivera Julio, Jagger; Hernandez Nieves, Alexander David; Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene; Springer/Plenum Publishers; Journal of Low Temperature Physics; 179; 1-2; 4-2015; 3-8
0022-2291
CONICET Digital
CONICET
url http://hdl.handle.net/11336/43950
identifier_str_mv Rivera Julio, Jagger; Hernandez Nieves, Alexander David; Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene; Springer/Plenum Publishers; Journal of Low Temperature Physics; 179; 1-2; 4-2015; 3-8
0022-2291
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1007/s10909-014-1242-1
info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007%2Fs10909-014-1242-1
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Springer/Plenum Publishers
publisher.none.fl_str_mv Springer/Plenum Publishers
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1842270054964527104
score 13.13397

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