Acta Phys. -Chim. Sin. ›› 2011, Vol. 27 ›› Issue (05): 1103-1107.doi: 10.3866/PKU.WHXB20110521

• THEORETICAL AND COMPUTATIONAL CHEMISTRY • Previous Articles     Next Articles

Electronic Transport Properties of Graphene Nanoribbons with Nanoholes

SUN Da-Li1, PENG Sheng-Lin1, OUYANG Jun1, OUYANG Fang-Ping1,2   

  1. 1. School of Physics Science and Technology, Central South University, Changsha 410083, P. R. China;
    2. College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences, Peking University, Beijing 100871, P. R. China
  • Received:2010-12-12 Revised:2011-01-15 Published:2011-04-28
  • Contact: OUYANG Fang-Ping E-mail:ouyangyh@pku.edu.cn
  • Supported by:

    The project was supported by the China Postdoctoral Science Foundation (201003009, 20090460145), Fundamental Research Funds for the Central Universities, China (201012200053), Science and Technology Program of Hunan Province, China (2010DFJ411), and Science Develop Foundation of Central South University, China (08SDF02, 09SDF09).

Abstract:

Based on the density of the general theory, the structures of ziqzag graphene nanoribbons (ZGNRs) (N=17, N is the number of carbon chain) with nanoholes are optimized and then get the transport property of the electrons in these systems with different holes through the calculation. The results show that the conductance is not only related to the quantum confinement effect, but also confined by the symmetry of the hole and the configuration of the diagonal symmetry is larger than the longitudinal symmetry′s in the presence of a single-hole. In the case of two holes, the conduction of the system is advanced with the growth of the distance between the two holes because of the coupling effect. At the same time, we can get some quantum phenomenon which can be explained by the model of one- dimensional double barrier.

Key words: Graphene nanoribbon, Nanoholes, Quantum confinement effect, Symmetry

MSC2000: 

  • O641