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Nanomachining Graphene with Ion Irradiation

  • Jani Kotakoski (a1) and Ossi Lehtinen (a2)
Abstract
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.

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