• 文献标题:   Density functional study on the increment of carrier mobility in armchair graphene nanoribbons induced by Stone-Wales defects
  • 文献类型:   Article
  • 作  者:   WANG G
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076 EI 1463-9084
  • 通讯作者地址:   Capital Normal Univ
  • 被引频次:   32
  • DOI:   10.1039/c1cp20541b
  • 出版年:   2011

▎ 摘  要

Armchair graphene nanoribbons and their derived structures containing Stone-Wales defects are investigated using a self-consistent field crystal orbital method based on density functional theory. The investigation indicates that both the nanoribbons and the defective structures are semiconductors. A low concentration of middle Stone-Wales defects generally increases the carrier mobility, calculated using deformation potential theory, while edge Stone-Wales defects decrease it. The largest increment of the carrier mobility is as high as 170%, which is explained by the lighter carrier effective mass with crystal orbital analysis.