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dc.contributor.author
Valencia Grajales, Jose Fernando
dc.contributor.author
Hernandez-Vazquez, E. E.
dc.contributor.author
Bringa, Eduardo Marcial
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Moran Lopez, J. L.
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Rogan, J.
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Gonzalez, Rosario Itati
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Munoz, F.
dc.date.available
2020-03-05T20:07:06Z
dc.date.issued
2018-06
dc.identifier.citation
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
dc.identifier.issn
1463-9076
dc.identifier.uri
http://hdl.handle.net/11336/98867
dc.description.abstract
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.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
NICKEL
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GRAPHENE
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VACANCIES
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Física de los Materiales Condensados
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Ciencias Físicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2020-03-04T15:41:08Z
dc.journal.volume
20
dc.journal.number
24
dc.journal.pagination
16347-16353
dc.journal.pais
Reino Unido
dc.description.fil
Fil: Valencia Grajales, Jose Fernando. Centro para el Desarrollo de la Nanociencia y Nanotecnología; Chile. Universidad de Chile; Chile. Universidad Mayor; Chile
dc.description.fil
Fil: Hernandez-Vazquez, E. E.. Universidad Nacional de Cuyo; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Bringa, Eduardo Marcial. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Instituto Potosino de Investigación Científica y Tecnológica; México
dc.description.fil
Fil: Moran Lopez, J. L.. Universidad Nacional de Cuyo; Argentina
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Fil: Rogan, J.. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; Chile. Universidad de Chile; Chile
dc.description.fil
Fil: Gonzalez, Rosario Itati. Universidad Mayor; Chile. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; Chile
dc.description.fil
Fil: Munoz, F.. Universidad de Chile; Chile. Centro Para El Desarrollo de la Nanociencia y Nanotecnología; Chile
dc.journal.title
Physical Chemistry Chemical Physics
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/c7cp08642c
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2018/CP/C7CP08642C
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