Vibrational properties of graphene fluoride and graphane

Autores
Peelaers, H.; Hernandez Nieves, Alexander David; Leenaerts, O.; Partoens, B.; Peeters, F. M.
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The vibrational properties of graphene fluoride and graphane are studied using ab initio calculations. We find that both sp3 bonded derivatives of graphene have different phonon dispersion relations and phonon densities of states as expected from the different masses associated with the attached atoms of fluorine and hydrogen, respectively. These differences manifest themselves in the predicted temperature behavior of the constant-volume specific heat of both compounds.
Fil: Peelaers, H.. Universiteit Antwerp; Bélgica
Fil: Hernandez Nieves, Alexander David. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Leenaerts, O.. Universiteit Antwerp; Bélgica
Fil: Partoens, B.. Universiteit Antwerp; Bélgica
Fil: Peeters, F. M.. Universiteit Antwerp; Bélgica
Materia
AB INITIO CALCULATIONS
PHONON DISPERSION
GRAPHENE
SPECIFIC HEAT
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:11336/271352
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/271352
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Vibrational properties of graphene fluoride and graphanePeelaers, H.Hernandez Nieves, Alexander DavidLeenaerts, O.Partoens, B.Peeters, F. M.AB INITIO CALCULATIONSPHONON DISPERSIONGRAPHENESPECIFIC HEAThttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The vibrational properties of graphene fluoride and graphane are studied using ab initio calculations. We find that both sp3 bonded derivatives of graphene have different phonon dispersion relations and phonon densities of states as expected from the different masses associated with the attached atoms of fluorine and hydrogen, respectively. These differences manifest themselves in the predicted temperature behavior of the constant-volume specific heat of both compounds.Fil: Peelaers, H.. Universiteit Antwerp; BélgicaFil: Hernandez Nieves, Alexander David. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; ArgentinaFil: Leenaerts, O.. Universiteit Antwerp; BélgicaFil: Partoens, B.. Universiteit Antwerp; BélgicaFil: Peeters, F. M.. Universiteit Antwerp; BélgicaAmerican Institute of Physics2011-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/271352Peelaers, H.; Hernandez Nieves, Alexander David; Leenaerts, O.; Partoens, B.; Peeters, F. M.; Vibrational properties of graphene fluoride and graphane; American Institute of Physics; Applied Physics Letters; 98; 5; 1-2011; 51914-519160003-6951CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.3551712info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:04:37Zoai:ri.conicet.gov.ar:11336/271352instacron: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:34982025-09-29 10:04:37.251CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Vibrational properties of graphene fluoride and graphane
title Vibrational properties of graphene fluoride and graphane
spellingShingle Vibrational properties of graphene fluoride and graphane
Peelaers, H.
AB INITIO CALCULATIONS
PHONON DISPERSION
GRAPHENE
SPECIFIC HEAT
title_short Vibrational properties of graphene fluoride and graphane
title_full Vibrational properties of graphene fluoride and graphane
title_fullStr Vibrational properties of graphene fluoride and graphane
title_full_unstemmed Vibrational properties of graphene fluoride and graphane
title_sort Vibrational properties of graphene fluoride and graphane
dc.creator.none.fl_str_mv Peelaers, H.
Hernandez Nieves, Alexander David
Leenaerts, O.
Partoens, B.
Peeters, F. M.
author Peelaers, H.
author_facet Peelaers, H.
Hernandez Nieves, Alexander David
Leenaerts, O.
Partoens, B.
Peeters, F. M.
author_role author
author2 Hernandez Nieves, Alexander David
Leenaerts, O.
Partoens, B.
Peeters, F. M.
author2_role author
author
author
author
dc.subject.none.fl_str_mv AB INITIO CALCULATIONS
PHONON DISPERSION
GRAPHENE
SPECIFIC HEAT
topic AB INITIO CALCULATIONS
PHONON DISPERSION
GRAPHENE
SPECIFIC HEAT
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The vibrational properties of graphene fluoride and graphane are studied using ab initio calculations. We find that both sp3 bonded derivatives of graphene have different phonon dispersion relations and phonon densities of states as expected from the different masses associated with the attached atoms of fluorine and hydrogen, respectively. These differences manifest themselves in the predicted temperature behavior of the constant-volume specific heat of both compounds.
Fil: Peelaers, H.. Universiteit Antwerp; Bélgica
Fil: Hernandez Nieves, Alexander David. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Leenaerts, O.. Universiteit Antwerp; Bélgica
Fil: Partoens, B.. Universiteit Antwerp; Bélgica
Fil: Peeters, F. M.. Universiteit Antwerp; Bélgica
description The vibrational properties of graphene fluoride and graphane are studied using ab initio calculations. We find that both sp3 bonded derivatives of graphene have different phonon dispersion relations and phonon densities of states as expected from the different masses associated with the attached atoms of fluorine and hydrogen, respectively. These differences manifest themselves in the predicted temperature behavior of the constant-volume specific heat of both compounds.
publishDate 2011
dc.date.none.fl_str_mv 2011-01
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/11336/271352
Peelaers, H.; Hernandez Nieves, Alexander David; Leenaerts, O.; Partoens, B.; Peeters, F. M.; Vibrational properties of graphene fluoride and graphane; American Institute of Physics; Applied Physics Letters; 98; 5; 1-2011; 51914-51916
0003-6951
CONICET Digital
CONICET
url http://hdl.handle.net/11336/271352
identifier_str_mv Peelaers, H.; Hernandez Nieves, Alexander David; Leenaerts, O.; Partoens, B.; Peeters, F. M.; Vibrational properties of graphene fluoride and graphane; American Institute of Physics; Applied Physics Letters; 98; 5; 1-2011; 51914-51916
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/10.1063/1.3551712
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 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_ 1844613873671340032
score 13.070432

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