Skip to main content
Article
Energetics and dynamics of a new type of extended line defects in graphene
Nanoscale (2012)
  • Yu Li, Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR, 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 A. Van Hove, Department of Physics and Materials Science, City University of Hong Kong, Hong Kong, China
Abstract
We revealed a novel extended line defect (ELD) containing tetragonal rings embedded in graphene, formed as a growth fault, with its energetic and dynamic behavior studied via first-principles calculations. In our finding based upon the molecular dynamics simulation, transformation between locally stable ELDs in graphene at high temperatures simultaneously with contrastive electronic properties can be applied to predetermine the formation process and reconstruction of ELDs.
Disciplines
Publication Date
2012
DOI
10.1039/c2nr30185g
Citation Information
Yu Li, Rui-Qin Zhang, Zijing Lin and Michel A. Van Hove. "Energetics and dynamics of a new type of extended line defects in graphene" Nanoscale Vol. 4 Iss. 8 (2012) p. 2580 - 2583 ISSN: 20403372
Available at: http://works.bepress.com/mavanhove/104/