• 文献标题:   Design of Graphene-Nanoribbon Heterojunctions from First Principles
  • 文献类型:   Article
  • 作  者:   LI XF, WANG LL, CHEN KQ, LUO Y
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447 EI 1932-7455
  • 通讯作者地址:   Royal Inst Technol
  • 被引频次:   37
  • DOI:   10.1021/jp202188t
  • 出版年:   2011

▎ 摘  要

Graphene nanoribbons with armchair and zigzag edges are known to have very different electronic structure and properties. We show here that the fusion of an armchair and a zigzag graphene-nanoribbon (aGNR vertical bar zGNR) can form heterojunctions with remarkable electron transport properties. First-principles calculations reveal that the heterojunction can be either metallic or semiconducting depending on the width of the nanoribbon. A well-defined oscillation of the zero-bias conductance as a function of the ribbon width is observed, which is originated from the resonance and nonresonance of frontier orbitals between aGNR and zGNR We find that the current/voltage characteristics of the aGNR vertical bar zGNR heterojunction possess pronounced rectification effect, and a high rectification ratio can be achieved by tuning the width of the zGNR to minimize the backward current. The unique properties of the proposed heterojunction could be very useful for manufacturing graphene-based electronic devices.