期刊
APPLIED PHYSICS LETTERS
卷 101, 期 25, 页码 -出版社
AIP Publishing
DOI: 10.1063/1.4772212
关键词
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资金
- Research Grants Council of Hong Kong SAR [CityU 103511]
- State Key Development Program for Basic Research of China [2012CB215405]
- National Natural Science Foundation of China [11074233]
- High Performance Cluster Computing Centre, Hong Kong Baptist University
- Research Grants Council, University Grants Committee of the HKSAR
- Hong Kong Baptist University
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. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4772212]
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