• 文献标题:   The strategy of repairing defective graphene by graphene patch via interlayer cross-linking
  • 文献类型:   Article
  • 作  者:   ZHAO YF, WU F, ZHAO Y, HE XD, SUI C, WANG C, TAN HF
  • 作者关键词:   defective graphene, graphene patch, crosslinking, tensile mechanical propertie, molecular dynamics simulation
  • 出版物名称:   COMPUTATIONAL MATERIALS SCIENCE
  • ISSN:   0927-0256 EI 1879-0801
  • 通讯作者地址:  
  • 被引频次:   1
  • DOI:   10.1016/j.commatsci.2021.110645 EA JUN 2021
  • 出版年:   2021

▎ 摘  要

The existence of defects such as intrinsic cracks and holes will greatly weaken the excellent mechanical behaviors of graphene sheets. In order to improve the mechanical properties of defective graphene (DG), this paper reports a novel nano-repair strategy that the interlayer cross-linkings are regarded as glue to bond defect-free graphene patch on DG. A systematic computational study on tensile strength of the repaired graphene (RG) has been performed using molecular dynamics (MD) simulations. It was found that, the optimal repair efficiency can reach 1.87. Furthermore, the shape of patch plays an important role on repair efficiency as well. This paper proves the repairability of the tensile strength of graphene with hole defects, and innovatively proposes the strengthening method of DG to optimize mechanical properties.