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Issue 24, 2018
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Growth of Ni nanoclusters on irradiated graphene: a molecular dynamics study

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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.

Graphical abstract: Growth of Ni nanoclusters on irradiated graphene: a molecular dynamics study

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Publication details

The article was received on 26 Dec 2017, accepted on 03 Apr 2018 and first published on 03 Apr 2018


Article type: Paper
DOI: 10.1039/C7CP08642C
Citation: Phys. Chem. Chem. Phys., 2018,20, 16347-16353
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    Growth of Ni nanoclusters on irradiated graphene: a molecular dynamics study

    F. J. Valencia, E. E. Hernandez-Vazquez, E. M. Bringa, J. L. Moran-Lopez, J. Rogan, R. I. Gonzalez and F. Munoz, Phys. Chem. Chem. Phys., 2018, 20, 16347
    DOI: 10.1039/C7CP08642C

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