• 文献标题:   Mechanical failure of zigzag graphene nanoribbons under tensile strain induced by edge reconstruction
  • 文献类型:   Article
  • 作  者:   CHENG YC, ZHU ZY, SCHWINGENSCHLOGL U
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF MATERIALS CHEMISTRY
  • ISSN:   0959-9428 EI 1364-5501
  • 通讯作者地址:   King Abdullah Univ Sci Technol
  • 被引频次:   8
  • DOI:   10.1039/c2jm34068b
  • 出版年:   2012

▎ 摘  要

The structural and mechanical properties of graphene nanoribbons (GNRs) under uniaxial tensile strain are studied by density functional theory. The ideal strength of a zigzag GNR (120 GPa) is close to that of pristine graphene. However, for a GNR with both edges reconstructed to pentagon-heptagon pairs (from hexagon-hexagon pairs) it decreases to 94 GPa and the maximum tensile strain is reduced to 15%. Our results constitute a comprehensive picture of the edge structure effect on the mechanical properties of GNRs.