Molecular dynamics simulations of defect production in graphene by carbon irradiation

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Title: Molecular dynamics simulations of defect production in graphene by carbon irradiation
Authors: Martínez Asencio, Jesús | Caturla, Maria J.
Research Group/s: Grupo de Nanofísica | Física de la Materia Condensada
Center, Department or Service: Universidad de Alicante. Departamento de Física Aplicada
Keywords: Molecular dynamics | Graphene | Defects | Irradiation
Knowledge Area: Física Aplicada
Issue Date: 1-Jun-2015
Publisher: Elsevier
Citation: Nuclear Instruments and Methods in Physics Research Section B. 2015, 352: 225-228. doi:10.1016/j.nimb.2014.12.010
Abstract: We present molecular dynamics simulations with empirical potentials to study the type of defects produced when irradiating graphene with low energy carbon ions (100 eV and 200 eV) and different dose rates. Simulations show the formation of very stable structures such as dimers, single chains of carbons and double chains of carbons. These structures are similar to those described in the literature, observed experimentally when irradiating graphene. For high doses or dose rates, the formation of nanopores is observed, similar to previous results by other authors for higher energies of the implanted ions. These simulations show how tunning the different parameters of irradiation conditions can be used to selectively create defects in graphene.
Sponsor: This work is supported by the Generalitat Valenciana through grant reference PROMETEO2012/011 and the Spanish government through grant FIS2010-21883.
URI: http://hdl.handle.net/10045/54320
ISSN: 0168-583X (Print) | 1872-9584 (Online)
DOI: 10.1016/j.nimb.2014.12.010
Language: eng
Type: info:eu-repo/semantics/article
Rights: © 2014 Elsevier B.V.
Peer Review: si
Publisher version: http://dx.doi.org/10.1016/j.nimb.2014.12.010
Appears in Collections:INV - Grupo de Nanofísica - Artículos de Revistas
INV - Física de la Materia Condensada - Artículos de Revistas

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