Electronic transport properties of fullerene functionalized carbon nanotubes: Ab initio and tight-binding calculations

Joachim Alexander Fürst, J. Hashemi, Troels Markussen, Mads Brandbyge, Antti-Pekka Jauho, R. M. Nieminen

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    Abstract

    Fullerene functionalized carbon nanotubes-NanoBuds-form a novel class of hybrid carbon materials, which possesses many advantageous properties as compared to the pristine components. Here, we report a theoretical study of the electronic transport properties of these compounds. We use both ab initio techniques and tight-binding calculations to illustrate these materials' transmission properties and give physical arguments to interpret the numerical results. Specifically, above the Fermi energy we find a strong reduction in electron transmission due to localized states in certain regions of the structure while below the Fermi energy all considered structures exhibit a high-transmission energy band with a geometry-dependent width.
    Original languageEnglish
    JournalPhysical Review B Condensed Matter
    Volume80
    Issue number3
    Pages (from-to)035427
    ISSN0163-1829
    DOIs
    Publication statusPublished - 2009

    Bibliographical note

    Copyright 2009 American Physical Society

    Keywords

    • STATES
    • QUANTUM CONDUCTANCE
    • NANOBUD
    • CHEMISTRY
    • DEFECTS
    • SIMULATION

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