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Ab initio investigations of the transport properties of Haeckelite nanotubes

Ye-Fei Li, Bing-Rui Li1 and Hao-Li Zhang

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A systematic investigation of the electronic transport properties of Haeckelite nanotubes using ab initio calculation is presented. The Haeckelite nanotube is coupled with Haeckelite nanotubes and bulk Au electrodes, respectively. Negative differential resistance and nonlinear conduction phenomena have been observed in the simulated IV curves. Our results suggest that this behavior is attributable to the band mismatch between left and right electrodes, which implies that some intriguing electronic transport characteristics could be realized by using nanoscale electrodes.


PACS

73.63.Fg Nanotubes

73.22.-f Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals

82.45.Yz Nanostructured materials in electrochemistry

82.45.Fk Electrodes

Subjects

Nanoscale science and low-D systems

Chemical physics and physical chemistry

Dates

Issue 41 (15 October 2008)

Received 9 May 2008, in final form 18 August 2008

Published 12 September 2008



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