• 文献标题:   Edge Hydrogenation-Induced Spin-Filtering and Rectifying Behaviors in the Graphene Nanoribbon Heterojunctions
  • 文献类型:   Article
  • 作  者:   ZENG J, CHEN KQ, HE J, ZHANG XJ, SUN CQ
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447
  • 通讯作者地址:   Hunan Univ
  • 被引频次:   152
  • DOI:   10.1021/jp208248v
  • 出版年:   2011

▎ 摘  要

By using nonequilibrium Green's functions in combination with the density functional theory, we investigate the electronic transport properties of edge hydrogenated zigzag-edged graphene nanoribbon heterojunctions. Results show that a perfect spin-filtering effect with 100% spin polarization and a rectifying behavior with a ratio larger than 10(5) can be realized by dihydrogenation, which can also be modulated by changing the widths of the two component ribbons.