Spectroscopic evidence and molecular simulation investigation of the pi-pi interaction between pyrene molecules and carbon nanotubes
文献类型：期刊论文
| 作者 | Zhang, Yan; Yuan, Shiling; Zhou, Weiwei; Xu, Junjian; Li, Yan |
| 刊名 | JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
 |
| 出版日期 | 2007-07-01 |
| 卷号 | 7期号:7页码:2366-2375 |
| 关键词 | Carbon Nanotubes Pyrene Fluorescence Infrared Spectroscopy Raman Spectroscopy Molecular Simulation |
| ISSN号 | 1533-4880 |
| DOI | 10.1166/jnn.2007.412 |
| 英文摘要 | The pi-pi interaction between pyrene molecules and single-walled carbon nanotubes (SWNTs) or multi-walled carbon nanotubes (MWNTs) was studied by fluorescence, FTIR, Raman spectroscopy and molecular simulation. The carbon nanotubes were incubated in pyrene solution and dried for characterization. A broadband fluorescence emission at 463 nm of the incubated samples was observed, which is similar to that of pyrene excimers but shifts to shorter wavelength. The typical FTIR bands of pyrene shift to lower wavenumbers in the incubated samples. D- and G-bands in Raman spectra of SWNTs also shift to low frequencies. All these spectroscopic evidences reveal the stronger pi-pi stacking interaction between the nanotubes and pyrene molecules over the pyrene dimers, which leads to the formation of pyrene-carbon nanotube complexes. The systems of SWNTs and pyrene molecules were also studied with molecular simulation. It was found from the binding energy calculation that a stronger interaction presents between the pyrene molecule and the nanotube. In addition, the simulation gives some structural information about the pyrene-nanotube complex, such as the staggered conformation of pyrene on nanotube. The effect of defects in carbon nanotube sidewall was also discussed. |
| 语种 | 英语 |
| WOS记录号 | WOS:000246347700023 |
| 出版者 | AMER SCIENTIFIC PUBLISHERS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/60339]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Li, Yan |
| 作者单位 | 1.Peking Univ, Beijing Natl Lab Mol Sci, Key Lab Phys & Chem Nanodevices, Coll Chem & Mol Engn, Beijing 100871, Peoples R China 2.Shandong Univ, Key Lab Colloid & Interface Chem, Jinan 250100, Shandong, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Yan,Yuan, Shiling,Zhou, Weiwei,et al. Spectroscopic evidence and molecular simulation investigation of the pi-pi interaction between pyrene molecules and carbon nanotubes[J]. JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY,2007,7(7):2366-2375. |
| APA | Zhang, Yan,Yuan, Shiling,Zhou, Weiwei,Xu, Junjian,&Li, Yan.(2007).Spectroscopic evidence and molecular simulation investigation of the pi-pi interaction between pyrene molecules and carbon nanotubes.JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY,7(7),2366-2375. |
| MLA | Zhang, Yan,et al."Spectroscopic evidence and molecular simulation investigation of the pi-pi interaction between pyrene molecules and carbon nanotubes".JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 7.7(2007):2366-2375. |
入库方式： OAI收割
来源：化学研究所
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