Title: Theoretical study on the combined systems of peanut-shaped carbon nanotubes encapsulated in single-walled carbon nanotubes
Abstract: The combined systems of peanut-shaped carbon nanotubes encapsulated in both semiconducting and metallic single-walled carbon nanotubes are investigated by using self-consistent field crystal orbital method based on the density functional theory. The investigation indicates that the interaction between the two constituents is mainly contributed by the π orbitals. The encapsulation does not change the semiconducting or metallic nature of the single-walled carbon nanotubes, but significantly changes the band dispersion and decreases the frontier band width of the metallic one. The carrier mobility and mean free path of the metallic single-walled carbon nanotube increase greatly after the encapsulation. The calculated mobilities have the order of 103 cm2 V−1 s−1 for both of the semiconducting and metallic double-walled carbon nanotubes.
Publication Year: 2012
Publication Date: 2012-10-01
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 4
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