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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/98867
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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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1846781520989126656 |
score |
12.8982525 |