Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons

Autores
Ao, Z. M.; Hernandez Nieves, Alexander David; Peeters, F. M.; Li, S.
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The thermal stability of graphene/graphane nanoribbons (GGNRs) is investigated using density functional theory. It is found that the energy barriers for the diffusion of hydrogen atoms on the zigzag and armchair interfaces of GGNRs are 2.86 and 3.17 eV, respectively, while the diffusion barrier of an isolated H atom on pristine graphene was only ∼ 0.3 eV. These results unambiguously demonstrate that the thermal stability of GGNRs can be enhanced significantly by increasing the hydrogen diffusion barriers through graphene/graphane interface engineering. This may provide new insights for viable applications of GGNRs.
Fil: Ao, Z. M.. University of New South Wales; Australia
Fil: Hernandez Nieves, Alexander David. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Peeters, F. M.. Universiteit Antwerp; Bélgica
Fil: Li, S.. University of New South Wales; Australia
Materia
DENSITY FUNCTIONAL THEORY
DIFFUSION BARRIERS
GRAPHENE
NANORIBBONS
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:11336/280507
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/280507
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbonsAo, Z. M.Hernandez Nieves, Alexander DavidPeeters, F. M.Li, S.DENSITY FUNCTIONAL THEORYDIFFUSION BARRIERSGRAPHENENANORIBBONShttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The thermal stability of graphene/graphane nanoribbons (GGNRs) is investigated using density functional theory. It is found that the energy barriers for the diffusion of hydrogen atoms on the zigzag and armchair interfaces of GGNRs are 2.86 and 3.17 eV, respectively, while the diffusion barrier of an isolated H atom on pristine graphene was only ∼ 0.3 eV. These results unambiguously demonstrate that the thermal stability of GGNRs can be enhanced significantly by increasing the hydrogen diffusion barriers through graphene/graphane interface engineering. This may provide new insights for viable applications of GGNRs.Fil: Ao, Z. M.. University of New South Wales; AustraliaFil: Hernandez Nieves, Alexander David. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; ArgentinaFil: Peeters, F. M.. Universiteit Antwerp; BélgicaFil: Li, S.. University of New South Wales; AustraliaAmerican Institute of Physics2010-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/280507Ao, Z. M.; Hernandez Nieves, Alexander David; Peeters, F. M.; Li, S.; Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons; American Institute of Physics; Applied Physics Letters; 97; 23; 12-2010; 233109-2331110003-6951CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.3525377info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-02-06T13:15:43Zoai:ri.conicet.gov.ar:11336/280507instacron: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:34982026-02-06 13:15:43.827CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons
title Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons
spellingShingle Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons
Ao, Z. M.
DENSITY FUNCTIONAL THEORY
DIFFUSION BARRIERS
GRAPHENE
NANORIBBONS
title_short Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons
title_full Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons
title_fullStr Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons
title_full_unstemmed Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons
title_sort Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons
dc.creator.none.fl_str_mv Ao, Z. M.
Hernandez Nieves, Alexander David
Peeters, F. M.
Li, S.
author Ao, Z. M.
author_facet Ao, Z. M.
Hernandez Nieves, Alexander David
Peeters, F. M.
Li, S.
author_role author
author2 Hernandez Nieves, Alexander David
Peeters, F. M.
Li, S.
author2_role author
author
author
dc.subject.none.fl_str_mv DENSITY FUNCTIONAL THEORY
DIFFUSION BARRIERS
GRAPHENE
NANORIBBONS
topic DENSITY FUNCTIONAL THEORY
DIFFUSION BARRIERS
GRAPHENE
NANORIBBONS
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 thermal stability of graphene/graphane nanoribbons (GGNRs) is investigated using density functional theory. It is found that the energy barriers for the diffusion of hydrogen atoms on the zigzag and armchair interfaces of GGNRs are 2.86 and 3.17 eV, respectively, while the diffusion barrier of an isolated H atom on pristine graphene was only ∼ 0.3 eV. These results unambiguously demonstrate that the thermal stability of GGNRs can be enhanced significantly by increasing the hydrogen diffusion barriers through graphene/graphane interface engineering. This may provide new insights for viable applications of GGNRs.
Fil: Ao, Z. M.. University of New South Wales; Australia
Fil: Hernandez Nieves, Alexander David. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Peeters, F. M.. Universiteit Antwerp; Bélgica
Fil: Li, S.. University of New South Wales; Australia
description The thermal stability of graphene/graphane nanoribbons (GGNRs) is investigated using density functional theory. It is found that the energy barriers for the diffusion of hydrogen atoms on the zigzag and armchair interfaces of GGNRs are 2.86 and 3.17 eV, respectively, while the diffusion barrier of an isolated H atom on pristine graphene was only ∼ 0.3 eV. These results unambiguously demonstrate that the thermal stability of GGNRs can be enhanced significantly by increasing the hydrogen diffusion barriers through graphene/graphane interface engineering. This may provide new insights for viable applications of GGNRs.
publishDate 2010
dc.date.none.fl_str_mv 2010-12
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/11336/280507
Ao, Z. M.; Hernandez Nieves, Alexander David; Peeters, F. M.; Li, S.; Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons; American Institute of Physics; Applied Physics Letters; 97; 23; 12-2010; 233109-233111
0003-6951
CONICET Digital
CONICET
url http://hdl.handle.net/11336/280507
identifier_str_mv Ao, Z. M.; Hernandez Nieves, Alexander David; Peeters, F. M.; Li, S.; Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons; American Institute of Physics; Applied Physics Letters; 97; 23; 12-2010; 233109-233111
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/10.1063/1.3525377
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_ 1856403444294746112
score 13.106097

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