• 文献标题:   Molecular Dynamics Simulations of Ion-Bombarded Graphene
  • 文献类型:   Article
  • 作  者:   BELLIDO EP, SEMINARIO JM
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447 EI 1932-7455
  • 通讯作者地址:   Texas A M Univ
  • 被引频次:   34
  • DOI:   10.1021/jp208049t
  • 出版年:   2012

▎ 摘  要

Using molecular dynamics simulations and a hybrid Tersoff-ZBL potential, the effects of irradiating graphene with a carbon ion at several positions and several energies from 0.1 eV to 100 keV are studied. The simulations show four, types of processes: absorption, reflection, transmission, and vacancy formation. At energies below 10 eV, the dominant process is reflection; between 10 and 100 eV, it is absorption; and between 100 eV and 100 keV, the dominant process is transmission. Vacancy formation is a low-probability process that takes place at energies above 30 eV. Three types of defects are found: adatom, single vacancy, and 5-8-5 defect formed from a double-vacancy defect. The simulations provide a fundamental understanding of the graphene carbon bombardment and the parameters to develop graphene devices by controlling defect formation.