Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils

Autores
Singh, Sandeep Kumar; Costamagna, Sebastian; Neek Amal, M.; Peeters, F. M.
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The melting of fluorographene is very unusual and depends strongly on the degree of fluorination. For temperatures below 1000 K, fully fluorinated graphene (FFG) is thermo-mechanically more stable than graphene but at T m ≈ 2800 K FFG transits to random coils which is almost twice lower than the melting temperature of graphene, i.e. 5300 K. For fluorinated graphene (PFG) up to 30% ripples causes detachment of individual F-atoms around 2000 K while for 40-60% fluorination, large defects are formed beyond 1500 K and beyond 60% of fluorination F-atoms remain bonded to graphene until melting. The results agree with recent experiments on the dependence of the reversibility of the fluorination process on the percentage of fluorination.
Fil: Singh, Sandeep Kumar. Universiteit Antwerpen. Department of Physics; Bélgica
Fil: Costamagna, Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); Argentina. Universidad Nacional de Rosario. Facultad de Ciencias Exactas, Ingeniería y Agrimensura; Argentina
Fil: Neek Amal, M.. Universiteit Antwerpen. Department of Physics; Bélgica
Fil: Peeters, F. M.. Universiteit Antwerpen. Department of Physics; Bélgica
Materia
Melting
Fluorinated Graphene
Thermal properties
Molecular dynamics
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:11336/5968
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/5968
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random CoilsSingh, Sandeep KumarCostamagna, SebastianNeek Amal, M.Peeters, F. M.MeltingFluorinated GrapheneThermal propertiesMolecular dynamicshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The melting of fluorographene is very unusual and depends strongly on the degree of fluorination. For temperatures below 1000 K, fully fluorinated graphene (FFG) is thermo-mechanically more stable than graphene but at T m ≈ 2800 K FFG transits to random coils which is almost twice lower than the melting temperature of graphene, i.e. 5300 K. For fluorinated graphene (PFG) up to 30% ripples causes detachment of individual F-atoms around 2000 K while for 40-60% fluorination, large defects are formed beyond 1500 K and beyond 60% of fluorination F-atoms remain bonded to graphene until melting. The results agree with recent experiments on the dependence of the reversibility of the fluorination process on the percentage of fluorination.Fil: Singh, Sandeep Kumar. Universiteit Antwerpen. Department of Physics; BélgicaFil: Costamagna, Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); Argentina. Universidad Nacional de Rosario. Facultad de Ciencias Exactas, Ingeniería y Agrimensura; ArgentinaFil: Neek Amal, M.. Universiteit Antwerpen. Department of Physics; BélgicaFil: Peeters, F. M.. Universiteit Antwerpen. Department of Physics; BélgicaAmerican Chemical Society2014-01-21info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/5968Singh, Sandeep Kumar; Costamagna, Sebastian; Neek Amal, M.; Peeters, F. M.; Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils; American Chemical Society; Journal of Physical Chemistry C; 118; 8; 21-1-2014; 4460-44641932-7447enginfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/jp4109333info:eu-repo/semantics/altIdentifier/doi/10.1021/jp4109333info:eu-repo/semantics/altIdentifier/doi/info:eu-repo/semantics/altIdentifier/url/http://arxiv.org/abs/1312.7157v1info:eu-repo/semantics/altIdentifier/arxiv/1312.7157v1info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-17T10:58:14Zoai:ri.conicet.gov.ar:11336/5968instacron: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:34982025-09-17 10:58:14.67CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils
title Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils
spellingShingle Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils
Singh, Sandeep Kumar
Melting
Fluorinated Graphene
Thermal properties
Molecular dynamics
title_short Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils
title_full Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils
title_fullStr Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils
title_full_unstemmed Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils
title_sort Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils
dc.creator.none.fl_str_mv Singh, Sandeep Kumar
Costamagna, Sebastian
Neek Amal, M.
Peeters, F. M.
author Singh, Sandeep Kumar
author_facet Singh, Sandeep Kumar
Costamagna, Sebastian
Neek Amal, M.
Peeters, F. M.
author_role author
author2 Costamagna, Sebastian
Neek Amal, M.
Peeters, F. M.
author2_role author
author
author
dc.subject.none.fl_str_mv Melting
Fluorinated Graphene
Thermal properties
Molecular dynamics
topic Melting
Fluorinated Graphene
Thermal properties
Molecular dynamics
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 melting of fluorographene is very unusual and depends strongly on the degree of fluorination. For temperatures below 1000 K, fully fluorinated graphene (FFG) is thermo-mechanically more stable than graphene but at T m ≈ 2800 K FFG transits to random coils which is almost twice lower than the melting temperature of graphene, i.e. 5300 K. For fluorinated graphene (PFG) up to 30% ripples causes detachment of individual F-atoms around 2000 K while for 40-60% fluorination, large defects are formed beyond 1500 K and beyond 60% of fluorination F-atoms remain bonded to graphene until melting. The results agree with recent experiments on the dependence of the reversibility of the fluorination process on the percentage of fluorination.
Fil: Singh, Sandeep Kumar. Universiteit Antwerpen. Department of Physics; Bélgica
Fil: Costamagna, Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); Argentina. Universidad Nacional de Rosario. Facultad de Ciencias Exactas, Ingeniería y Agrimensura; Argentina
Fil: Neek Amal, M.. Universiteit Antwerpen. Department of Physics; Bélgica
Fil: Peeters, F. M.. Universiteit Antwerpen. Department of Physics; Bélgica
description The melting of fluorographene is very unusual and depends strongly on the degree of fluorination. For temperatures below 1000 K, fully fluorinated graphene (FFG) is thermo-mechanically more stable than graphene but at T m ≈ 2800 K FFG transits to random coils which is almost twice lower than the melting temperature of graphene, i.e. 5300 K. For fluorinated graphene (PFG) up to 30% ripples causes detachment of individual F-atoms around 2000 K while for 40-60% fluorination, large defects are formed beyond 1500 K and beyond 60% of fluorination F-atoms remain bonded to graphene until melting. The results agree with recent experiments on the dependence of the reversibility of the fluorination process on the percentage of fluorination.
publishDate 2014
dc.date.none.fl_str_mv 2014-01-21
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/11336/5968
Singh, Sandeep Kumar; Costamagna, Sebastian; Neek Amal, M.; Peeters, F. M.; Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils; American Chemical Society; Journal of Physical Chemistry C; 118; 8; 21-1-2014; 4460-4464
1932-7447
url http://hdl.handle.net/11336/5968
identifier_str_mv Singh, Sandeep Kumar; Costamagna, Sebastian; Neek Amal, M.; Peeters, F. M.; Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils; American Chemical Society; Journal of Physical Chemistry C; 118; 8; 21-1-2014; 4460-4464
1932-7447
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/jp4109333
info:eu-repo/semantics/altIdentifier/doi/10.1021/jp4109333
info:eu-repo/semantics/altIdentifier/doi/
info:eu-repo/semantics/altIdentifier/url/http://arxiv.org/abs/1312.7157v1
info:eu-repo/semantics/altIdentifier/arxiv/1312.7157v1
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 Chemical Society
publisher.none.fl_str_mv American Chemical Society
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
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score 13.000565

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