• 文献标题:   Energetics and dynamics of a new type of extended line defects in graphene
  • 文献类型:   Article
  • 作  者:   LI Y, ZHANG RQ, LIN ZJ, VAN HOVE MA
  • 作者关键词:  
  • 出版物名称:   NANOSCALE
  • ISSN:   2040-3364 EI 2040-3372
  • 通讯作者地址:   City Univ Hong Kong
  • 被引频次:   15
  • DOI:   10.1039/c2nr30185g
  • 出版年:   2012

▎ 摘  要

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.