Hydroboration of C(100) surface, fullerene, and the sidewalls of single-wall carbon nanotubes with borane | |
Long, LS ; Long LS(龙腊生) ; Lu, X ; Lv X(吕鑫) ; Tian, F ; Zhang, QE ; Zhang QE(张乾二) | |
2003-05-07 | |
英文摘要 | Hydroboration of three allotropes of carbon, i.e., diamond (100) surface, [60]fullerene, and single-wall carbon nanotubes (SWNTs), with borane (BH3) has been explored by means of quantum chemical calculations. The calculations predicted that the hydroboration Of C-60 and the C(100)-2 x 1 surface occurs readily, whereas the hydroboration of the sidewall of an armchair (5,5) SWNT is thermoneutral with a barrier height of 11.5 kcal/mol. This suggests that sidewall hydroboration, if viable, would be highly reversible on the (5,5) SWNT. The as-hydroborated carbonous materials can be good starting points for further chemical modification and manipulation of these carbonous materials, given the abundant chemistry of organoboranes. |
语种 | 英语 |
出版者 | AMER CHEMICAL SOC |
内容类型 | 期刊论文 |
源URL | [http://dx.doi.org/doi:10.1021/jo034395r] ![]() |
专题 | 化学化工-已发表论文 |
推荐引用方式 GB/T 7714 | Long, LS,Long LS,Lu, X,et al. Hydroboration of C(100) surface, fullerene, and the sidewalls of single-wall carbon nanotubes with borane[J],2003. |
APA | Long, LS.,龙腊生.,Lu, X.,吕鑫.,Tian, F.,...&张乾二.(2003).Hydroboration of C(100) surface, fullerene, and the sidewalls of single-wall carbon nanotubes with borane.. |
MLA | Long, LS,et al."Hydroboration of C(100) surface, fullerene, and the sidewalls of single-wall carbon nanotubes with borane".(2003). |
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