• 文献标题:   Collision Energy Dependence of Defect Formation in Graphene
  • 文献类型:   Article
  • 作  者:   MAO F, ZHANG C, ZHANG YW, ZHANG FS
  • 作者关键词:  
  • 出版物名称:   CHINESE PHYSICS LETTERS
  • ISSN:   0256-307X
  • 通讯作者地址:   Beijing Normal Univ
  • 被引频次:   9
  • DOI:   10.1088/0256-307X/29/7/076101
  • 出版年:   2012

▎ 摘  要

Molecular dynamics simulations are performed using an empirical potential to simulate the collision process of an energetic carbon atom hitting a graphene sheet. According to the different impact locations within the graphene sheet, the incident threshold energies of different defects caused by the collision are determined to be 22 eV for a single vacancy, 36 eV for a divacancy, 60 eV for a Stone-Wales defect, and 65 eV for a hexavacancy. Study of the evolution and stability of the defects formed by these collisions suggests that the single vacancy reconstructs into a pentagon pair and the divacancy transforms into a pentagon-octagon-pentagon configuration. The displacement threshold energy in graphene is investigated by using the dynamical method, and a reasonable value 22.42 eV is clarified by eliminating the heating effect induced by the collision.