• 文献标题:   The Effect of Ion Irradiation Density on the Defect of Graphene: A Molecular Dynamics Study
  • 文献类型:   Article
  • 作  者:   LIN JF, WANG SL, LIU HX, YIN K, WU L, LI W
  • 作者关键词:   graphene, bilayer structure, irradiation, molecular dynamic, defect
  • 出版物名称:   CRYSTALS
  • ISSN:   2073-4352
  • 通讯作者地址:   Xidian Univ
  • 被引频次:   0
  • DOI:   10.3390/cryst10030158
  • 出版年:   2020

▎ 摘  要

This paper analyzes graphene irradiation effects using a molecular dynamic simulation software, large-scale atomic / molecular massively parallel simulator (LAMMPS). We propose a hypothesis for the effective range of incident ions based on simulation results of irradiation effects that were found using a suspended single-layer graphene. This explains the influence mechanism of irradiation density on the degree of material defects. This paper does key research on how copper substrate influences a single- and bi-layer graphene. The results show that for a single-layer graphene (SLG) the substrate increases the effective range of the incident ions. Within a certain range of the irradiation density, the substrate enhances the defect production on graphene in low-energy irradiation (<5 keV). However, due to the shielding effect of the substrate, the overall trend of graphene damage will be reduced. For the bi-layer graphene (BLG), the effect of the indirect action range is more obvious than that of the direct-action range. In the case of low irradiation density, the knock-on atoms of BLG are much less than suspended SLG.