Título
Growth of Ni nanoclusters on irradiated graphene: A molecular dynamics study
Autor
Felipe J Valencia
ESTHER ELENA HERNANDEZ VAZQUEZ
Eduardo M Bringa
JOSE LUIS MORAN LOPEZ
José Rogan Castillo
Rafael I. Gonzalez
Francisco Munoz
Nivel de Acceso
Acceso Abierto
Identificador alterno
doi: https://doi.org/10.1039/C7CP08642C
Materias
Resumen o 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."
Editor
Royal Society of Chemistry
Fecha de publicación
2018
Tipo de publicación
Artículo
Versión de la publicación
Versión aceptada
Recurso de información
Formato
application/pdf
Sugerencia de citación
Phys. Chem. Chem. Phys., 2018,20, 16347-16353
Repositorio Orígen
Repositorio IPICYT
Descargas
519