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

Publication: Research - peer-reviewJournal article – Annual report year: 2009

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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 and Materials Physics)
Publication date2009
Volume80
Issue3
Pages035427
ISSN1098-0121
DOIs
StatePublished

Bibliographical note

Copyright 2009 American Physical Society

CitationsWeb of Science® Times Cited: 13

Keywords

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