Inducing extended line defects in graphene by linear adsorption of C and N atoms

Yu Li, Rui Qin Zhang*, Zijing Lin, M. A. VAN HOVE

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

We propose a possible approach for controlled formation of various 585 (containing pentagonal and octagonal carbon rings) extended line defects (ELDs) by linear adsorption of various kinds of atoms (C, N, B, O) on a graphene substrate, based upon density functional theory and molecular-dynamics (MD) simulations. We find out that the C and N atoms spontaneously transform to 585 ELDs while other elements find specific stable configurations. To confirm the feasibility of forming the ELD from line adsorption, investigation of the critical transformation conditions of the 585 ELD is involved based upon various adsorption models and adsorption densities.

Original languageEnglish
Article number253105
JournalApplied Physics Letters
Volume101
Issue number25
DOIs
Publication statusPublished - 17 Dec 2012

Scopus Subject Areas

  • Physics and Astronomy (miscellaneous)

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