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Nanomachining Graphene with Ion Irradiation

Published online by Cambridge University Press:  01 February 2011

Jani Kotakoski  and
Ossi Lehtinen
Jani Kotakoski
Affiliation:
[email protected], University of Helsinki, Department of Physics, Helsinki, Finland
Ossi Lehtinen
Affiliation:
[email protected], University of Helsinki, Department of Physics, Helsinki, Finland
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Abstract

We present molecular dynamics simulations using both empirical potentials (EP) and density functional theory (DFT) on ion irradiation of graphene. The comparison between the two methods shows that EP gives not only qualitatively but also quantitatively reasonable estimates of defect production during ion irradiation in carbon nanosystems. Ion irradiation is shown to give rise to a range of interesting defects e.g. single, double and triple vacancies, bond rotations, close-by Frenkel pairs and more complex defect structures. We show that the creation of these defects is related to the atomic processes upon the ion impact, and define the critical irradiation angles both for maximum damage and no penetration as a function of the ion mass.

Keywords

simulationnanostructureradiation effects
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1259: Symposium S – Graphene Materials and Devices , 2010 , 1259-S18-02
Copyright
Copyright © Materials Research Society 2010

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