Author | dc.contributor.author | Valencia, F. | |
Author | dc.contributor.author | Hernández-Vázquez, E. E. | |
Author | dc.contributor.author | Bringa, E. M. | |
Author | dc.contributor.author | Morán López, J. L. | |
Author | dc.contributor.author | Rogan Castillo, José | |
Author | dc.contributor.author | González, R. I. | |
Author | dc.contributor.author | Muñoz, F. | |
Admission date | dc.date.accessioned | 2018-11-08T19:50:09Z | |
Available date | dc.date.available | 2018-11-08T19:50:09Z | |
Publication date | dc.date.issued | 2018-06-28 | |
Cita de ítem | dc.identifier.citation | Physical Chemistry Chemical Physics Volumen: 20 Número: 24 Páginas: 16347-16353 | es_ES |
Identifier | dc.identifier.other | 10.1039/c7cp08642c | |
Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/152506 | |
Abstract | 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. | es_ES |
Patrocinador | dc.description.sponsorship | Fondecyt (Chile)
1150806
1160639
Financiamiento Basal para Centros Cientficos y Tecnologicos de Excelencia (Chile) through the Center for Development of Nanoscience and Nanotechnology (CEDENNA)
FB0807
CONACYT (Mexico)
288363
NLHPC
ECM-02
PICT2014-0096
SeCTyP-UNCuyo M025 | es_ES |
Lenguage | dc.language.iso | en | es_ES |
Publisher | dc.publisher | The Royal Society of Chemistry | es_ES |
Source | dc.source | Physical Chemistry Chemical Physics | es_ES |
Keywords | dc.subject | Reactive force-field | es_ES |
Keywords | dc.subject | Total-energy calculations | es_ES |
Keywords | dc.subject | Wave basis-set | es_ES |
Keywords | dc.subject | Metal-clusters | es_ES |
Keywords | dc.subject | Adatom adsorption | es_ES |
Keywords | dc.subject | Carbon nanotubes | es_ES |
Keywords | dc.subject | Surface | es_ES |
Keywords | dc.subject | Reaxff | es_ES |
Keywords | dc.subject | Diffusion | es_ES |
Keywords | dc.subject | Vacancies | es_ES |
Título | dc.title | Growth of ni nanoclusters on irradiated graphene: a molecular dynamics study | es_ES |
Document type | dc.type | Artículo de revista | |
dcterms.accessRights | dcterms.accessRights | Acceso a solo metadatos | es_ES |
Cataloguer | uchile.catalogador | rgf | es_ES |
Indexation | uchile.index | Artículo de publicación ISI | es_ES |