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|Title:||First-principles study of carbon nanotubes with bamboo-shape and pentagon-pentagon fusion defects|
|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|
|Appears in Collections:||Staff Publications|
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