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Article
Inducing extended line defects in graphene by linear adsorption of C and N atoms
Applied Physics Letters
  • Yu Li, Department of Physics, University of Science and Technology of China, Hefei, China
  • Rui-Qin Zhang, Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR, China
  • Zijing Lin, Department of Physics, University of Science and Technology of China, Hefei, China
  • Michel Andre Van Hove, Hong Kong Baptist University
Document Type
Journal Article
Disciplines
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.
Publication Year
2012
Publisher
American Institute of Physics
Referreed
1
Citation Information
Yu Li, Rui-Qin Zhang, Zijing Lin and Michel Andre Van Hove. "Inducing extended line defects in graphene by linear adsorption of C and N atoms" Applied Physics Letters Vol. 101 Iss. 25 (2012) p. 253105-1 - 253105-4 ISSN: 00036951
Available at: http://works.bepress.com/mavanhove/1/