Please use this identifier to cite or link to this item:
|Title:||First-principles study of carbon nanotubes with bamboo-shape and pentagon-pentagon fusion defects||Authors:||Lim, S.H.
|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|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on May 14, 2019
checked on May 17, 2019
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.