Electronic transport properties of fullerene functionalized carbon nanotubes: Ab initio and tight-binding calculations
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© 2009 American Physical Society (APS). This is the accepted version of the following article: Fürst, J. A. & Hashemi, J. & Markussen, T. & Brandbyge, M. & Jauho, A. P. & Nieminen, Risto M. 2009. Electronic transport properties of fullerene functionalized carbon nanotubes: Ab initio and tight-binding calculations. Physical Review B. Volume 80, Issue 3. 035427/1-4. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.80.035427, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.80.035427.
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School of Science |
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
2009
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Degree programme
Language
en
Pages
035427/1-4
Series
Physical Review B, Volume 80, Issue 3
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.Description
Keywords
carbon nanotubes, electron transport, fullerenes
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Citation
Fürst, J. A. & Hashemi, J. & Markussen, T. & Brandbyge, M. & Jauho, A. P. & Nieminen, Risto M. 2009. Electronic transport properties of fullerene functionalized carbon nanotubes: Ab initio and tight-binding calculations. Physical Review B. Volume 80, Issue 3. 035427/1-4. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.80.035427.
