access icon free Effect of vacancy distribution on the relaxation properties of graphene: a molecular dynamics study

Influence of vacancies on the relaxation properties of graphene nanoribbons has been investigated by molecular dynamics simulation in several nanometre sizes. Moreover, three factors including vacancy size, number and distribution are taken into consideration. The results show graphene nanoribbons present different kinds of deformation at different sites with various vacancy distributions. The effects of vacancy distributions on the relaxation properties of graphene nanoribbons are discussed.

Inspec keywords: deformation; graphene; molecular dynamics method; vacancies (crystal); nanoribbons

Other keywords: graphene nanoribbons; relaxation properties; deformation; vacancy distribution effect; C; molecular dynamics simulation

Subjects: Deformation and plasticity; Structure of graphene and graphene-related materials; Deformation, plasticity and creep; Structure of solid clusters, nanoparticles, nanotubes and nanostructured materials; Interstitials and vacancies; Modelling and computer simulation of solid structure

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http://iet.metastore.ingenta.com/content/journals/10.1049/mnl.2015.0266
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