• 文献标题:   Chemically Tuning Mechanics of Graphene by BN
  • 文献类型:   Article
  • 作  者:   PENG Q, CHEN XJ, JI W, DE S
  • 作者关键词:  
  • 出版物名称:   ADVANCED ENGINEERING MATERIALS
  • ISSN:   1438-1656 EI 1527-2648
  • 通讯作者地址:   Rensselaer Polytech Inst
  • 被引频次:   20
  • DOI:   10.1002/adem.201300033
  • 出版年:   2013

▎ 摘  要

With finite bandgaps, g-BNC, a boron nitride monolayer (g-BN) phase within a graphene layer, is a promising semiconductor for next generation electronics. We report its mechanics dependence of the g-BN concentration, including the high order elastic constants and mechanical failure, through a first-principles study based on density functional theory. The in-plane stiffness as well as third order elastic constants of graphene can be linearly tuned with g-BN concentration. The longitudinal mode elastic constants are sensitive to the BN modification, in contrast to the shear mode elastic constants. This study may provide guidance in optimizing the mechanics of graphene-based nanodevices.