Electronic transport properties of fullerene functionalized carbon nanotubes: Ab initio and tight-binding calculations
Publication: Research - peer-review › Journal article – Annual report year: 2009
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.
|Journal||Physical Review B (Condensed Matter and Materials Physics)|
Copyright 2009 American Physical Society
|Citations||Web of Science® Times Cited: 13|
- STATES, QUANTUM CONDUCTANCE, NANOBUD, CHEMISTRY, DEFECTS, SIMULATION
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