1. College of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi 830054, China 2. Key Laboratory of Mineral Luminescence Materials and Microstructures of Xinjiang Uygur Autonomous Region, Urumqi 830054, China
Based on experimental results, we obtain five types of single-walled carbon nanotube (SWNT) clusters with different chirality indices and diameters using density functional theory (DFT). We then obtain the corresponding SWNTs by using periodic boundary conditions. Studies of the stability and electronic properties show that the stability of the novel SWNTs is independent of the chirality index and relates only to the tube diameter; larger diameters correspond to more stable SWNTs. The electronic properties all show metallic characteristics independent of the chirality indices and tube diameters, thereby promoting the application of metallic-type SWNTs.
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