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Research PapersNo Access

THE EFFECTS OF CO-DOPING OF B AND N ON THE ELECTRONIC TRANSPORT OF SINGLE-WALLED CARBON NANOTUBES

College of Optoelectronic Information, Chongqing University of Technology, Chongqing 400054, China

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College of Physical Science and Technology, Yangtze University, Jingzhou 434023, China

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College of Optoelectronic Information, Chongqing University of Technology, Chongqing 400054, China

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Department of Physics and Information Science, Yulin Normal University, Yulin 537000, China

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College of Science and Technology of Material, Hunan University, Changsha 410082, China

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College of Science and Technology of Material, Hunan University, Changsha 410082, China

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https://doi.org/10.1142/S0217984911026218Cited by:1 (Source: Crossref)

Abstract

Based on first-principle calculation, the geometry and electronic transport properties of the boron and nitrogen co-doping single-walled carbon nanotubes are investigated by using density functional theory combined with non-equilibrium Green's functions. The results show that the BN atoms energetically tend to form covalent bond of BN along axis in the nanotubes. In contrast to solely B or N doping, the co-doping do not generate accepter or donor subbands near the Fermi level. The co-doping give rise to the reduction of band gap in semiconducting (10, 0) tube and, furthermore, introduces the band gap to the metallic (5, 5) tube.

Keywords:

PACS: 72.80.Rj, 73.22.2f, 73.61.Wp, 73.63.Rt

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Vol. 25, No. 14

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History

Received 27 August 2010

Revised 9 October 2010

Keywords