Please use this identifier to cite or link to this item: https://doi.org/10.1166/jnn.2008.002
Title: First-principles study of carbon nanotubes with bamboo-shape and pentagon-pentagon fusion defects
Authors: Lim, S.H.
Ji, W. 
Lin, J. 
Keywords: Bamboo-shaped
First-principles
Nanotubes
Pentagon defects
Resonances
Issue Date: Jan-2008
Citation: Lim, S.H.,Ji, W.,Lin, J. (2008-01). First-principles study of carbon nanotubes with bamboo-shape and pentagon-pentagon fusion defects. Journal of Nanoscience and Nanotechnology 8 (1) : 309-313. ScholarBank@NUS Repository. https://doi.org/10.1166/jnn.2008.002
Abstract: A first-principles study of single-walled carbon nanotubes with bamboo-shape (BS) and pentagon-pentagon fusion defects was conducted. Sharp resonances occur on the BS-nanotubes as strong density of electronic states (DOS) localized at carbon atoms adjacent to the partitions, while at the partition the localized DOS was greatly depleted. A strong defect state at -0.1 eV below the Fermi level was generated and the band gap was narrowed for BS-(10, 0) nanotube. Sharp resonant states are observed in the valence and conduction bands of BS-(12,0) nanotube. The resonant states are attributed to the pentagon defects as exemplified by the study of a (5,5) nanotube with pentagon-pentagon fusion ring. The high chemical reactivity of the topological defects of the BS-nanotubes is correlated to the presence of localized resonant states. Copyright © 2008 American Scientific Publishers All rights reserved.
Source Title: Journal of Nanoscience and Nanotechnology
URI: http://scholarbank.nus.edu.sg/handle/10635/96652
ISSN: 15334880
DOI: 10.1166/jnn.2008.002
Appears in Collections:Staff Publications

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