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

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

Formato

application/pdf

Sugerencia de citación

Phys. Chem. Chem. Phys., 2018,20, 16347-16353

Repositorio Orígen

Repositorio IPICYT

Descargas

519

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