Reactive sites for chiral selective growth of single-walled carbon nanotubes: a DFT study of Ni55–Cn complexes

• Main Authors: Wang, Qiang, Wang, Hong, Wei, Li, Yang, Shuo-Wang, Chen, Yuan
• 其他作者: School of Chemical and Biomedical Engineering
• 格式: Article
• 語言: English
• 出版: 2013
• 主題: DRNTU::Science::Chemistry::Physical chemistry
• 在線閱讀: https://hdl.handle.net/10356/98327; http://hdl.handle.net/10220/17121

The physical and electronic properties of single-walled carbon nanotubes (SWCNTs) are determined by their chirality. The chirality selection mechanism in SWCNT growth is not fully understood. In this study, the interaction between near-armchair (n,5), where n = 6, 7, 8, and 9, zigzag (9,0), and armc...