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. I
Effects of nitrogen substitutional doping on the electronic transport of carbon nanotube
β Scribed by Jianwei Wei; Huifang Hu; Hui Zeng; Zhipeng Zhou; Weiwei Yang; Ping Peng
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 513 KB
- Volume
- 40
- Category
- Article
- ISSN
- 1386-9477
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β¦ Synopsis
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 because of the dopants, and their structures strongly dominate their electrical properties. Our calculations indicate that transport properties of the doped nanotubes are sensitive not only to the concentration of nitrogen atoms but also to their distribution. The doping effects on the electronic transport of the carbon nanotube are discussed.
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## Abstract The nitrogen edgeβdoped effect on the structure, dipole moment, and first hyperpolarizability of the supershort singleβwalled carbon nanotube (5, 0) has been studied systematically. For the nitrogen edgeβdoped effect on the structure, the mean diameter on the nitrogenβdoped side (__D__~