Molecular dynamics simulations of defect production in graphene by carbon irradiation

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.