Boron and nitrogen doping induced half-metallicity in zigzag triwing graphene nanoribbons

Liang Ma, Hong Hu, Liyan Zhu, Jinlan Wang

Research output: Journal article publicationJournal articleAcademic researchpeer-review

56 Citations (Scopus)

Abstract

The electronic and magnetic properties of quasi-1D zigzag triwing graphene (ZZ-TWG) ribbons with boron and nitrogen (BN) doping were investigated by means of a spin-polarized density functional theory approach. Our results showed that asymmetric BN doping can give rise to half-metallicity and suppress spin polarization of the doped wings, making the BN-doped ZZ-TWGs potential application in spintronics devices. Heavily doping can turn metallic ZZ-TWG ribbons into semiconductors. A critical ratio of BN to C and appropriate doping site (e.g., ribbons edges) are required for achieving specific electronic properties. An effective path of engineering electronic properties of ZZ-TWGs by BN doping was suggested.
Original languageEnglish
Pages (from-to)6195-6199
Number of pages5
JournalJournal of Physical Chemistry C
Volume115
Issue number14
DOIs
Publication statusPublished - 14 Apr 2011

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Energy(all)

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