Effect of substitutional impurities on the electronic transport properties of graphene

Golibjon Berdiyorov, H. Bahlouli, F. M. Peeters

Research output: Contribution to journalArticle

8 Citations (Scopus)


Density-functional theory in combination with the nonequilibrium Green's function formalism is used to study the effect of substitutional doping on the electronic transport properties of hydrogen passivated zig-zag graphene nanoribbon devices. B, N and Si atoms are used to substitute carbon atoms located at the center or at the edge of the sample. We found that Si-doping results in better electronic transport as compared to the other substitutions. The transmission spectrum also depends on the location of the substitutional dopants: for single atom doping the largest transmission is obtained for edge substitutions, whereas substitutions in the middle of the sample give larger transmission for double carbon substitutions. The obtained results are explained in terms of electron localization in the system due to the presence of impurities.

Original languageEnglish
Pages (from-to)22-26
Number of pages5
JournalPhysica E: Low-Dimensional Systems and Nanostructures
Publication statusPublished - 1 Oct 2016



  • Density functional
  • Doping
  • Graphene
  • Transmission

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Electronic, Optical and Magnetic Materials

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