An ab initio study of the electronic properties of carbon nanotubes activated by hydrogen-passivated vacancies
SCIE
SCOPUS
- Title
- An ab initio study of the electronic properties of carbon nanotubes activated by hydrogen-passivated vacancies
- Authors
- Jhi, SH
- Date Issued
- 2007-09
- Publisher
- PERGAMON-ELSEVIER SCIENCE LTD
- Abstract
- The effect of multi-vacancies on the electronic structure of semiconducting carbon nanotubes is studied using the ab initio pseudopotential density-functional method. The di-vacancy is found particularly effective in changing the band gap of the semiconducting nanotubes, while mono-, tri-, or tetra-vacancies introduce gap-states. A significant modulation of band gap is observed for a certain type of zigzag nanotube upon varying concentration of di-vacancy. The hydrogen passivation is found critical for stabilizing the vacancies. Based on present calculations, a conceptual model is proposed for semiconductor semiconductor junctions that do not involve the chirality change of the tube. (c) 2007 Elsevier Ltd. All rights reserved.
- Keywords
- TRANSPORT-PROPERTIES; RADIAL DEFORMATION; DEFECTS; GRAPHITE
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/23175
- DOI
- 10.1016/j.carbon.2007.05.023
- ISSN
- 0008-6223
- Article Type
- Article
- Citation
- CARBON, vol. 45, no. 10, page. 2031 - 2036, 2007-09
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- There are no files associated with this item.
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