Diffusion of fluorine adatoms on doped graphene

Autores
Guzman Arellano, Robert Mikhail; Hernandez Nieves, Alexander David; Balseiro, Carlos Antonio; Usaj, Gonzalo
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We calculate the diffusion barrier of fluorine adatoms on doped graphene in the diluted limit using Density Functional Theory. We found that the barrier D strongly depends on the magnitude and character of the graphene’s doping (dn): it increases for hole doping (dn < 0) and decreases for electron doping (dn > 0). Near the neutrality point the functional dependence can be approximately by D ¼ D0 – adn, where a ’ 6 1012 meV cm2 . This effect leads to significant changes of the diffusion constant with doping even at room temperature and could also affect the low temperature diffusion dynamics due to the presence of substrate induced charge puddles. In addition, this might open up the possibility to engineer the F dynamics on graphene by using local gates.
Fil: Guzman Arellano, Robert Mikhail. Comision Nacional de Energia Atomica. Gerencia D/area Invest y Aplicaciones No Nucleares. Gerencia de Física (cab). Grupo de Teoria de Solidos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Hernandez Nieves, Alexander David. Comision Nacional de Energia Atomica. Gerencia D/area Invest y Aplicaciones No Nucleares. Gerencia de Física (cab). Grupo de Teoria de Solidos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Balseiro, Carlos Antonio. Comision Nacional de Energia Atomica. Gerencia D/area Invest y Aplicaciones No Nucleares. Gerencia de Física (cab). Grupo de Teoria de Solidos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Usaj, Gonzalo. Comision Nacional de Energia Atomica. Gerencia D/area Invest y Aplicaciones No Nucleares. Gerencia de Física (cab). Grupo de Teoria de Solidos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Materia
Graphene
Ab initio
Adatom diffusion
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:11336/33729
Acceder
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spelling Diffusion of fluorine adatoms on doped grapheneGuzman Arellano, Robert MikhailHernandez Nieves, Alexander DavidBalseiro, Carlos AntonioUsaj, GonzaloGrapheneAb initioAdatom diffusionhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We calculate the diffusion barrier of fluorine adatoms on doped graphene in the diluted limit using Density Functional Theory. We found that the barrier D strongly depends on the magnitude and character of the graphene’s doping (dn): it increases for hole doping (dn < 0) and decreases for electron doping (dn > 0). Near the neutrality point the functional dependence can be approximately by D ¼ D0 – adn, where a ’ 6 1012 meV cm2 . This effect leads to significant changes of the diffusion constant with doping even at room temperature and could also affect the low temperature diffusion dynamics due to the presence of substrate induced charge puddles. In addition, this might open up the possibility to engineer the F dynamics on graphene by using local gates.Fil: Guzman Arellano, Robert Mikhail. Comision Nacional de Energia Atomica. Gerencia D/area Invest y Aplicaciones No Nucleares. Gerencia de Física (cab). Grupo de Teoria de Solidos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Hernandez Nieves, Alexander David. Comision Nacional de Energia Atomica. Gerencia D/area Invest y Aplicaciones No Nucleares. Gerencia de Física (cab). Grupo de Teoria de Solidos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Balseiro, Carlos Antonio. Comision Nacional de Energia Atomica. Gerencia D/area Invest y Aplicaciones No Nucleares. Gerencia de Física (cab). Grupo de Teoria de Solidos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Usaj, Gonzalo. Comision Nacional de Energia Atomica. Gerencia D/area Invest y Aplicaciones No Nucleares. Gerencia de Física (cab). Grupo de Teoria de Solidos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaAmerican Institute of Physics2014-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/33729Balseiro, Carlos Antonio; Usaj, Gonzalo; Hernandez Nieves, Alexander David; Guzman Arellano, Robert Mikhail; Diffusion of fluorine adatoms on doped graphene; American Institute of Physics; Applied Physics Letters; 105; 12; 9-2014; 1-4; 1216060003-6951CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.4896511info:eu-repo/semantics/altIdentifier/url/http://aip.scitation.org/doi/10.1063/1.4896511info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:45:12Zoai:ri.conicet.gov.ar:11336/33729instacron: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:34982025-10-15 15:45:13.254CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Diffusion of fluorine adatoms on doped graphene
title Diffusion of fluorine adatoms on doped graphene
spellingShingle Diffusion of fluorine adatoms on doped graphene
Guzman Arellano, Robert Mikhail
Graphene
Ab initio
Adatom diffusion
title_short Diffusion of fluorine adatoms on doped graphene
title_full Diffusion of fluorine adatoms on doped graphene
title_fullStr Diffusion of fluorine adatoms on doped graphene
title_full_unstemmed Diffusion of fluorine adatoms on doped graphene
title_sort Diffusion of fluorine adatoms on doped graphene
dc.creator.none.fl_str_mv Guzman Arellano, Robert Mikhail
Hernandez Nieves, Alexander David
Balseiro, Carlos Antonio
Usaj, Gonzalo
author Guzman Arellano, Robert Mikhail
author_facet Guzman Arellano, Robert Mikhail
Hernandez Nieves, Alexander David
Balseiro, Carlos Antonio
Usaj, Gonzalo
author_role author
author2 Hernandez Nieves, Alexander David
Balseiro, Carlos Antonio
Usaj, Gonzalo
author2_role author
author
author
dc.subject.none.fl_str_mv Graphene
Ab initio
Adatom diffusion
topic Graphene
Ab initio
Adatom diffusion
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 calculate the diffusion barrier of fluorine adatoms on doped graphene in the diluted limit using Density Functional Theory. We found that the barrier D strongly depends on the magnitude and character of the graphene’s doping (dn): it increases for hole doping (dn < 0) and decreases for electron doping (dn > 0). Near the neutrality point the functional dependence can be approximately by D ¼ D0 – adn, where a ’ 6 1012 meV cm2 . This effect leads to significant changes of the diffusion constant with doping even at room temperature and could also affect the low temperature diffusion dynamics due to the presence of substrate induced charge puddles. In addition, this might open up the possibility to engineer the F dynamics on graphene by using local gates.
Fil: Guzman Arellano, Robert Mikhail. Comision Nacional de Energia Atomica. Gerencia D/area Invest y Aplicaciones No Nucleares. Gerencia de Física (cab). Grupo de Teoria de Solidos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Hernandez Nieves, Alexander David. Comision Nacional de Energia Atomica. Gerencia D/area Invest y Aplicaciones No Nucleares. Gerencia de Física (cab). Grupo de Teoria de Solidos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Balseiro, Carlos Antonio. Comision Nacional de Energia Atomica. Gerencia D/area Invest y Aplicaciones No Nucleares. Gerencia de Física (cab). Grupo de Teoria de Solidos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Usaj, Gonzalo. Comision Nacional de Energia Atomica. Gerencia D/area Invest y Aplicaciones No Nucleares. Gerencia de Física (cab). Grupo de Teoria de Solidos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
description We calculate the diffusion barrier of fluorine adatoms on doped graphene in the diluted limit using Density Functional Theory. We found that the barrier D strongly depends on the magnitude and character of the graphene’s doping (dn): it increases for hole doping (dn < 0) and decreases for electron doping (dn > 0). Near the neutrality point the functional dependence can be approximately by D ¼ D0 – adn, where a ’ 6 1012 meV cm2 . This effect leads to significant changes of the diffusion constant with doping even at room temperature and could also affect the low temperature diffusion dynamics due to the presence of substrate induced charge puddles. In addition, this might open up the possibility to engineer the F dynamics on graphene by using local gates.
publishDate 2014
dc.date.none.fl_str_mv 2014-09
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/11336/33729
Balseiro, Carlos Antonio; Usaj, Gonzalo; Hernandez Nieves, Alexander David; Guzman Arellano, Robert Mikhail; Diffusion of fluorine adatoms on doped graphene; American Institute of Physics; Applied Physics Letters; 105; 12; 9-2014; 1-4; 121606
0003-6951
CONICET Digital
CONICET
url http://hdl.handle.net/11336/33729
identifier_str_mv Balseiro, Carlos Antonio; Usaj, Gonzalo; Hernandez Nieves, Alexander David; Guzman Arellano, Robert Mikhail; Diffusion of fluorine adatoms on doped graphene; American Institute of Physics; Applied Physics Letters; 105; 12; 9-2014; 1-4; 121606
0003-6951
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4896511
info:eu-repo/semantics/altIdentifier/url/http://aip.scitation.org/doi/10.1063/1.4896511
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
application/pdf
dc.publisher.none.fl_str_mv American Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
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_ 1846083552660160512
score 13.22299

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