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Structure and electronic properties of a heterojunction between a single wall carbon nanotube and a TiC cluster

  • Fullerenes, Nanotubes and Nanowires
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Abstract.

Atomic structures and electronic properties of heterojunctions of Ti-TiC and TiC-single wall carbon nanotube, Ti48-Ti19C26 and Ti19C24-C30, are studied by the first principles calculation based on the density functional theory. At the junctions, these substrates are smoothly connected with each other and keep their original structures and electronic properties. The structures of the junctions obtained in the present work give a realistic model to ab initio study for electronic transport properties through the junction of a carbon nanotube and an electrode.

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Authors and Affiliations

  1. Faculty of Engineering, Shizuoka University, Hamamatsu, 432-8561, Japan

    N. Fujima & R. Tamura

  2. Graduate School of Natural Science and Technology, Kanazawa University, Kanazawa, 920-1192, Japan

    T. Oda

Authors
  1. N. Fujima
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  2. R. Tamura
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  3. T. Oda
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Correspondence to N. Fujima.

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Fujima, N., Tamura, R. & Oda, T. Structure and electronic properties of a heterojunction between a single wall carbon nanotube and a TiC cluster. Eur. Phys. J. D 43, 147–150 (2007). https://doi.org/10.1140/epjd/e2007-00089-5

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  • DOI: https://doi.org/10.1140/epjd/e2007-00089-5

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