Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study

Autores
Valencia Grajales, Jose Fernando; Hernandez-Vazquez, E. E.; Bringa, Eduardo Marcial; Moran Lopez, J. L.; Rogan, J.; Gonzalez, Rosario Itati; Munoz, F.
Año de publicación
2018
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We studied the soft landing of Ni atoms on a previously damaged graphene sheet by means of molecular dynamics simulations. We found a monotonic decrease of the cluster frequency as a function of its size, but few big clusters comprise an appreciable fraction of the total number of Ni atoms. The aggregation of Ni atoms is also modeled by means of a simple phenomenological model. The results are in clear contrast with the case of hard or energetic landing of metal atoms, where there is a tendency to form mono-disperse metal clusters. This behavior is attributed to the high diffusion of unattached Ni atoms, together with vacancies acting as capture centers. The findings of this work show that a simple study of the energetics of the system is not enough in the soft landing regime, where it is unavoidable to also consider the growth process of metal clusters.
Fil: Valencia Grajales, Jose Fernando. Centro para el Desarrollo de la Nanociencia y Nanotecnología; Chile. Universidad de Chile; Chile. Universidad Mayor; Chile
Fil: Hernandez-Vazquez, E. E.. Universidad Nacional de Cuyo; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Bringa, Eduardo Marcial. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Instituto Potosino de Investigación Científica y Tecnológica; México
Fil: Moran Lopez, J. L.. Universidad Nacional de Cuyo; Argentina
Fil: Rogan, J.. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; Chile. Universidad de Chile; Chile
Fil: Gonzalez, Rosario Itati. Universidad Mayor; Chile. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; Chile
Fil: Munoz, F.. Universidad de Chile; Chile. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; Chile
Materia
NICKEL
GRAPHENE
VACANCIES
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:11336/98867

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network_name_str CONICET Digital (CONICET)
spelling Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics studyValencia Grajales, Jose FernandoHernandez-Vazquez, E. E.Bringa, Eduardo MarcialMoran Lopez, J. L.Rogan, J.Gonzalez, Rosario ItatiMunoz, F.NICKELGRAPHENEVACANCIEShttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We studied the soft landing of Ni atoms on a previously damaged graphene sheet by means of molecular dynamics simulations. We found a monotonic decrease of the cluster frequency as a function of its size, but few big clusters comprise an appreciable fraction of the total number of Ni atoms. The aggregation of Ni atoms is also modeled by means of a simple phenomenological model. The results are in clear contrast with the case of hard or energetic landing of metal atoms, where there is a tendency to form mono-disperse metal clusters. This behavior is attributed to the high diffusion of unattached Ni atoms, together with vacancies acting as capture centers. The findings of this work show that a simple study of the energetics of the system is not enough in the soft landing regime, where it is unavoidable to also consider the growth process of metal clusters.Fil: Valencia Grajales, Jose Fernando. Centro para el Desarrollo de la Nanociencia y Nanotecnología; Chile. Universidad de Chile; Chile. Universidad Mayor; ChileFil: Hernandez-Vazquez, E. E.. Universidad Nacional de Cuyo; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Bringa, Eduardo Marcial. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Instituto Potosino de Investigación Científica y Tecnológica; MéxicoFil: Moran Lopez, J. L.. Universidad Nacional de Cuyo; ArgentinaFil: Rogan, J.. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; Chile. Universidad de Chile; ChileFil: Gonzalez, Rosario Itati. Universidad Mayor; Chile. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; ChileFil: Munoz, F.. Universidad de Chile; Chile. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; ChileRoyal Society of Chemistry2018-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/98867Valencia Grajales, Jose Fernando; Hernandez-Vazquez, E. E.; Bringa, Eduardo Marcial; Moran Lopez, J. L.; Rogan, J.; et al.; Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 20; 24; 6-2018; 16347-163531463-9076CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1039/c7cp08642cinfo:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2018/CP/C7CP08642Cinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:12:33Zoai:ri.conicet.gov.ar:11336/98867instacron: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:34982025-10-22 11:12:33.993CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study
title Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study
spellingShingle Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study
Valencia Grajales, Jose Fernando
NICKEL
GRAPHENE
VACANCIES
title_short Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study
title_full Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study
title_fullStr Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study
title_full_unstemmed Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study
title_sort Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study
dc.creator.none.fl_str_mv Valencia Grajales, Jose Fernando
Hernandez-Vazquez, E. E.
Bringa, Eduardo Marcial
Moran Lopez, J. L.
Rogan, J.
Gonzalez, Rosario Itati
Munoz, F.
author Valencia Grajales, Jose Fernando
author_facet Valencia Grajales, Jose Fernando
Hernandez-Vazquez, E. E.
Bringa, Eduardo Marcial
Moran Lopez, J. L.
Rogan, J.
Gonzalez, Rosario Itati
Munoz, F.
author_role author
author2 Hernandez-Vazquez, E. E.
Bringa, Eduardo Marcial
Moran Lopez, J. L.
Rogan, J.
Gonzalez, Rosario Itati
Munoz, F.
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv NICKEL
GRAPHENE
VACANCIES
topic NICKEL
GRAPHENE
VACANCIES
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 soft landing of Ni atoms on a previously damaged graphene sheet by means of molecular dynamics simulations. We found a monotonic decrease of the cluster frequency as a function of its size, but few big clusters comprise an appreciable fraction of the total number of Ni atoms. The aggregation of Ni atoms is also modeled by means of a simple phenomenological model. The results are in clear contrast with the case of hard or energetic landing of metal atoms, where there is a tendency to form mono-disperse metal clusters. This behavior is attributed to the high diffusion of unattached Ni atoms, together with vacancies acting as capture centers. The findings of this work show that a simple study of the energetics of the system is not enough in the soft landing regime, where it is unavoidable to also consider the growth process of metal clusters.
Fil: Valencia Grajales, Jose Fernando. Centro para el Desarrollo de la Nanociencia y Nanotecnología; Chile. Universidad de Chile; Chile. Universidad Mayor; Chile
Fil: Hernandez-Vazquez, E. E.. Universidad Nacional de Cuyo; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Bringa, Eduardo Marcial. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Instituto Potosino de Investigación Científica y Tecnológica; México
Fil: Moran Lopez, J. L.. Universidad Nacional de Cuyo; Argentina
Fil: Rogan, J.. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; Chile. Universidad de Chile; Chile
Fil: Gonzalez, Rosario Itati. Universidad Mayor; Chile. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; Chile
Fil: Munoz, F.. Universidad de Chile; Chile. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; Chile
description We studied the soft landing of Ni atoms on a previously damaged graphene sheet by means of molecular dynamics simulations. We found a monotonic decrease of the cluster frequency as a function of its size, but few big clusters comprise an appreciable fraction of the total number of Ni atoms. The aggregation of Ni atoms is also modeled by means of a simple phenomenological model. The results are in clear contrast with the case of hard or energetic landing of metal atoms, where there is a tendency to form mono-disperse metal clusters. This behavior is attributed to the high diffusion of unattached Ni atoms, together with vacancies acting as capture centers. The findings of this work show that a simple study of the energetics of the system is not enough in the soft landing regime, where it is unavoidable to also consider the growth process of metal clusters.
publishDate 2018
dc.date.none.fl_str_mv 2018-06
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/11336/98867
Valencia Grajales, Jose Fernando; Hernandez-Vazquez, E. E.; Bringa, Eduardo Marcial; Moran Lopez, J. L.; Rogan, J.; et al.; Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 20; 24; 6-2018; 16347-16353
1463-9076
CONICET Digital
CONICET
url http://hdl.handle.net/11336/98867
identifier_str_mv Valencia Grajales, Jose Fernando; Hernandez-Vazquez, E. E.; Bringa, Eduardo Marcial; Moran Lopez, J. L.; Rogan, J.; et al.; Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 20; 24; 6-2018; 16347-16353
1463-9076
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1039/c7cp08642c
info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2018/CP/C7CP08642C
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 Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
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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