• 文献标题:   Quantum dot based on Z-shaped graphene nanoribbon: First-principles study
  • 文献类型:   Article
  • 作  者:   REN H, LI QX, SHI QW, YANG JL
  • 作者关键词:   quantum dot, zshaped graphene nanoribbons heterojunction, firstprinciples calculation
  • 出版物名称:   CHINESE JOURNAL OF CHEMICAL PHYSICS
  • ISSN:   1674-0068 EI 1003-7713
  • 通讯作者地址:   Univ Sci Technol China
  • 被引频次:   8
  • DOI:   10.1088/1674-0068/20/04/489-494
  • 出版年:   2007

▎ 摘  要

The electronic and transport properties of the Z-shaped graphene nanoribbons heterojunction are investigated by a fully self-consistent non-equilibrium Green's function method combined with density functional theory. The first-principles calculations show that the robust quantum confinement effect in the junction can be used to design the quantum dot. The electronic states are confined by the topological structure of the junction. This kind of Z-shaped quantum dot can be realized regardless of doping impurity, edge chemical modification, and the length of junction. Moreover, the spatial distribution and the number of confined states are tunable.