- 作者: 戴柏青
- 作者服務機構: Department of Chemistry, Harbin Normal University, Harbin 150080, P.R. China
- 中文摘要: DFT/B3LYP calculations were carried out for a boron-nitride nanotube (BNNT) of zigzag (N,0) and armchair (N,N), where N = 4,5 and 6, respectively. From a calculated energy band, density of state and bond order, the electroconductivity and bonding character of BNNT were discussed and compared with that of a carbon nanotube (CNT).
- 英文摘要: --
- 中文關鍵字: DFT/B3LYP calculation; BNNT; Energy band; DOS; Bond order.
- 英文關鍵字: --