• 文献标题:   Effects of nitrogen-doping configurations with vacancies on conductivity in graphene
  • 文献类型:   Article
  • 作  者:   RADCHENKO TM, TATARENKO VA, SAGALIANOV IY, PRYLUTSKYY YI
  • 作者关键词:   graphene, quantum transport, point defect
  • 出版物名称:   PHYSICS LETTERS A
  • ISSN:   0375-9601 EI 1873-2429
  • 通讯作者地址:   G V Kurdyumov Inst Met Phys NASU
  • 被引频次:   24
  • DOI:   10.1016/j.physleta.2014.05.022
  • 出版年:   2014

▎ 摘  要

We investigate electronic transport in the nitrogen-doped graphene containing different configurations of point defects: singly or doubly substituting N atoms and nitrogen-vacancy complexes. The results are numerically obtained using the quantum-mechanical Kubo-Greenwood formalism. Nitrogen substitutions in graphene lattice are modelled by the scattering potential adopted from the independent self-consistent ab initio calculations. Variety of quantitative and qualitative changes in the conductivity behaviour are revealed for both graphite- and pyridine-type N defects in graphene. For the most common graphite-like configurations in the N-doped graphene, we also consider cases of correlation and ordering of substitutional N atoms. The conductivity is found to be enhanced up to several times for correlated N dopants and tens times for ordered ones as compared to the cases of their random distributions. The presence of vacancies in the complex defects as well as ordering of N dopants suppresses the electron-hole asymmetry of the conductivity in graphene. (c) 2014 Elsevier B.V. All rights reserved.