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Single Wall Bamboo Shaped Carbon Nanotube: A Molecular Dynamics And Electronic Study

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  • OSMAN BARIŞ MALCIOĞLU

    (Department of Physics, Middle East Technical University, 06531 Ankara, Turkey)

  • EMRE TAŞCI

    (Department of Physics, Middle East Technical University, 06531 Ankara, Turkey)

  • ŞAKİR ERKOÇ

    (Department of Physics, Middle East Technical University, 06531 Ankara, Turkey)

Abstract

Thermal stability and molecular electronic properties of a single walled, bamboo shaped carbon nanotube has been investigated. Molecular dynamics method is applied to investigate thermal stability, and electronic properties are calculated at the Extended Huckel level. Although bamboo shaped carbon nanotubes observed in experimental literature are multi-walled, it is shown that the suggested structural model in this work, which is single-walled, is also both thermodynamically and energetically stable. Bamboo shape of the model investigated is due to periodical coronene-like spacers. The resultant structure is compartmented, having geometrical aberrations in the vicinity of spacers. There is no degradation in the average coordination number. The geometrical aberrations in the vicinity of spacers is due to curvature induced by the pentagons of the resultant geometry.

Suggested Citation

  • Osman Bariş Malcioğlu & Emre Taşci & Şaki̇r Erkoç, 2006. "Single Wall Bamboo Shaped Carbon Nanotube: A Molecular Dynamics And Electronic Study," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 17(02), pages 187-196.
    • Handle: RePEc:wsi:ijmpcx:v:17:y:2006:i:02:n:s012918310600887x
    DOI: 10.1142/S012918310600887X
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    1. -, 2000. "Introdução à técnica de planejamento," Copublicaciones, Naciones Unidas Comisión Económica para América Latina y el Caribe (CEPAL), number 1617.
    2. van Damme, E.E.C., 2000. "Nobelprijs voor nuttige econometrie," Other publications TiSEM 88c2ad26-cefa-4176-bdc7-b, Tilburg University, School of Economics and Management.
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