• 文献标题:   Formation, Structure, and Properties of "Welded" h-BN/Graphene Compounds
  • 文献类型:   Article
  • 作  者:   CHERNOZATONSKII LA, DEMIN VA, ARTYUKH AA
  • 作者关键词:  
  • 出版物名称:   JETP LETTERS
  • ISSN:   0021-3640 EI 1090-6487
  • 通讯作者地址:   Russian Acad Sci
  • 被引频次:   0
  • DOI:   10.1134/S0021364016130063
  • 出版年:   2016

▎ 摘  要

Structures of h-BN/graphene with holes where atoms at the edges are bonded to each other by sp(2) hybridized C-B and C-N bonds and form continuous junctions from layer to layer with topological defects inside holes have been considered. Their formation, as well as the moire-type stable atomic structure of such compounds ( with different rotation angles of graphene with respect to the hexagonal boron nitride monolayer) with closed hexagonal holes in the AA centers of packing of the moire superlattice, has been studied. The stability, as well as the electronic and mechanical properties, of such bilayer BN/graphene nanomeshes has been analyzed within electron density functional theory. It has been shown that they have semiconducting properties. Their electronic band structures and mechanical characteristics differ from the respective properties of separate monolayer nanomeshes with the same geometry and arrangement of holes.