We have studied the effects of nitrogen substitutional doping on the transport properties of single-wall carbon nanotube (8, 0) using density functional theory and non-equilibrium Green's functions. The results reveal that the nanotube changes from the semiconducting to the quasi-metallic state beca
โฆ LIBER โฆ
Strong effects of substitute nitrogen-doping on linear optical absorption spectra of zigzag carbon nanotubes
โ Scribed by Sheng Bao; Jianping Zheng; Guohua Yang; Jiangwei Chen
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 343 KB
- Volume
- 404
- Category
- Article
- ISSN
- 0921-4526
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โฆ Synopsis
We theoretically study effects of substitute nitrogen-doping on linear optical properties of zigzag carbon nanotubes using tight-binding model and gradient approximation. It is found that, generally, nitrogendoping reduces the value of absorption peaks and creates a number of new absorption peaks. In addition, near the low energy range, linear optical absorption spectra of nitrogen-doped (m,0) zigzag tubes are remarkably dependent on whether m mod 3 (the remainder of dividing m by 3) is equal to 0, 1 or 2.
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โ 513 KB