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Electronic Structure of Copper-Decorated Carbon Nanotubes

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Abstract

Carbon nanotubes (CNTs) encapsulated with copper chains have been investigated with quantum mechanics calculations, with an emphasis on the effects of copper on CNTs electronic structure and the resultant conductance. Density functional theory frames in conjunction with nonequilibrium Green’s function were used for the study. The results have shown that due to the interaction between copper and CNTs, the conductance of the metallic CNTs-Cu system can be significantly increased.

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Authors and Affiliations

  1. Department of Material Science and Engineering, College of Engineering and Computer Science, University of Central Florida, Orlando, FL, 32816-2450, USA

    Jingyin Jiang, Chengyu Yang & Quanfang Chen

  2. Department of Mechanical and Aerospace Engineering, College of Engineering and Computer Science, University of Central Florida, Orlando, FL, 32816-2450, USA

    Quanfang Chen

Authors
  1. Jingyin Jiang
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  2. Chengyu Yang
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  3. Quanfang Chen
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Correspondence to Jingyin Jiang or Quanfang Chen.

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Jiang, J., Yang, C. & Chen, Q. Electronic Structure of Copper-Decorated Carbon Nanotubes. JOM 68, 311–317 (2016). https://doi.org/10.1007/s11837-015-1353-4

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  • DOI: https://doi.org/10.1007/s11837-015-1353-4

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