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• W2077864932 abstract "Ab initio molecular dynamics simulations are performed to investigate the effects of a boron nitride (BN) substrate on Stone-Wales (SW) defect formation and recovery in graphene. It is found that SW defects can be created by an off-plane recoil atom that interacts with the BN substrate. A mechanism with complete bond breakage for formation of SW defects in suspended graphene is also revealed for recoils at large displacement angles. In addition, further irradiation can result in recovery of the SW defects through a bond rotation mechanism in both graphene and graphene/BN, and the substrate has little effect on the recovery process. This study indicates that the BN substrate enhances the irradiation resistance of graphene." @default.
• W2077864932 created "2016-06-24" @default.
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• W2077864932 date "2014-05-19" @default.
• W2077864932 modified "2023-09-27" @default.
• W2077864932 title "Effects of boron-nitride substrates on Stone-Wales defect formation in graphene: An <i>ab initio</i> molecular dynamics study" @default.
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• W2077864932 doi "https://doi.org/10.1063/1.4879258" @default.
• W2077864932 hasPublicationYear "2014" @default.
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