Direct Visualization of the Chemical Mechanism in SERRS of 4-Aminothiophenol/Metal Complexes and Metal/4-Aminothiophenol/Metal Junctions
文献类型：期刊论文
| 作者 | Sun, MT ; Xu, HX |
| 刊名 | CHEMPHYSCHEM
 |
| 出版日期 | 2009 |
| 卷号 | 10期号:2页码:392 |
| 关键词 | ENHANCED RAMAN-SCATTERING DENSITY-FUNCTIONAL THEORY INHOMOGENEOUS ELECTRON-GAS CHARGE-TRANSFER P-AMINOTHIOPHENOL SILVER ELECTRODE SURFACE SPECTROSCOPY SPECTRA GOLD |
| ISSN号 | 1439-4235 |
| 通讯作者 | Sun, MT: Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, POB 603-146, Beijing 100190, Peoples R China. |
| 中文摘要 | We theoretically investigate the mechanism of chemical enhancement of surface-enhanced resonance Roman scattering (SERRS) of para-aminothiophenol (PATP)/metal complexes and metal/PATP/metal junctions. The method of charge difference density is used to visualize intracluster excitation and charge transfer (CT) between PATP and metal during the process of resonant electronic transitions. It is found that the selective enhancement of the b(2) mode in SERRS spectra result not only from Albrecht's A term (the Frank-Condon term), but also from the Herzberg-Teller term (Albrecht's B mechanism) via resonant CT For the metal/PATP/metal junctions, the calculated results reveal that the Roman spectrum is of SERRS nature and the nontotally symmetric b(2) mode is strongly enhanced at the incident wavelength of 1064 nm when Au and Ag nanoparticles are the first and second layer, respectively, and the dominant enhancement mechanism is the Herzberg-Teller term in chemical enhancement via tunneling charge transfer (intervalence electron transfer from the Ag cluster to the Au cluster). When the first and second layers were inverted (i.e. the Ag and Au nanoparticles are the first and second layers, respectively), the Roman spectrum at on incident wavelength of 1064 nm is due to normal Roman scattering, and the nontotally symmetric b(2) mode is not strongly enhanced. Our theoretical results not only support the experimental findings, but also provide a clear physical interpretation. |
| 收录类别 | SCI |
| 资助信息 | National Natural Science Foundation of China [10874234, 10874233, 20703064, 10625418]; Sino-Swedish Collaborations about Nanophotonics and Nanoelectronics [2006DFB02020]; National Basic Research Project of China [2009CB930701, 2007CB936804]; "Boiren" projects of CAS. |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/36087]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Sun, MT,Xu, HX. Direct Visualization of the Chemical Mechanism in SERRS of 4-Aminothiophenol/Metal Complexes and Metal/4-Aminothiophenol/Metal Junctions[J]. CHEMPHYSCHEM,2009,10(2):392. |
| APA | Sun, MT,&Xu, HX.(2009).Direct Visualization of the Chemical Mechanism in SERRS of 4-Aminothiophenol/Metal Complexes and Metal/4-Aminothiophenol/Metal Junctions.CHEMPHYSCHEM,10(2),392. |
| MLA | Sun, MT,et al."Direct Visualization of the Chemical Mechanism in SERRS of 4-Aminothiophenol/Metal Complexes and Metal/4-Aminothiophenol/Metal Junctions".CHEMPHYSCHEM 10.2(2009):392. |
入库方式： OAI收割
来源：物理研究所
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