• 文献标题:   STRUCTURE AND ENERGY OF INTERCRYSTALLITE BOUNDARIES IN GRAPHENE
  • 文献类型:   Article
  • 作  者:   KOLESNIKOVA AL, ROZHKOV MA, HUSSAINOVA I, ORLOVA TS, YASNIKOV IS, ZHIGILEI LV, ROMANOV AE
  • 作者关键词:  
  • 出版物名称:   REVIEWS ON ADVANCED MATERIALS SCIENCE
  • ISSN:   1606-5131
  • 通讯作者地址:   ITMO Univ
  • 被引频次:   3
  • DOI:  
  • 出版年:   2017

▎ 摘  要

A systematic approach to constructing intercrystallite boundaries (IBs) in graphene is developed based on the structural units (SUs) model of grain boundaries (GBs). The approach operates with SUs composed of carbon octagons, heptagons, pentagons and squares, which correspond to six-member carbon rings of an ideal hexagonal graphene lattice altered by wedge disclinations of different strength. A linear periodic arrangement of SUs containing disclination dipoles and quadrupoles is used to construct IBs in graphene. The energies of symmetric IBs are calculated in molecular dynamics simulations and are used for evaluation of the feasibility of experimental fabrication of the IBs in graphene.