引用本文:
【打印本页】   【HTML】   【下载PDF全文】   View/Add Comment  【EndNote】   【RefMan】   【BibTex】
←前一篇|后一篇→ 过刊浏览    高级检索
本文已被:浏览 1785次   下载 1867 本文二维码信息
码上扫一扫!
分享到: 微信 更多
Chemical Enhancement on Surface-Enhanced Resonance Raman Scattering of Au3-1,4-Benzenedithiol-Au3 Junction
Xiu-ming Zhao1, Xiao-rui Tian2, Sha-sha Liu3, Yuan-zuo Li1,2, Mao-du Chen*1
1.School of Physics & Optoelectronic Technology, College of Advanced Science and Technology, Dalian University of Technology, Dalian 116024, China;2.Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;3.Department of Chemistry, Northeastern University, Shenyang 110004, China
Abstract:
Surface-enhanced Raman scattering (SERS) and surface-enhanced resonance Raman scat-tering (SERRS) spectra of the 1,4-benzenedithiol molecule in the junction of two Au3 clus-ters have been calculated using density functional theory (DFT) and time-dependent DFT method. In order to investigate the contribution of charge transfer (CT) enhancement, the wavelengths of incident light are chosen to be at resonance with four representative excited states, which correspond to CT in four different forms. Compared with SERS spectrum, SERRS spectra are enhanced enormously with distinct enhancement factors, which can be attributed to CT resonance in different forms.
Key words:  Surface-enhanced Raman scattering, 1,4-Benzenedithiol molecule, Surface-enhanced resonance Raman scattering, Charge transfer
FundProject:
1,4-苯二硫醇分子的表面增强共振拉曼散射的化学增强
赵秀明1, 田小锐2, 刘莎莎3, 李源作1,2, 陈茂笃*1
1.大连理工大学物理与光电工程学院,高科技研究院,大连116024;2.中国科学院北京物理所凝聚态物理国家实验室,北京100190;3.东北大学化学系,沈阳110004
摘要:
利用密度泛函和含时密度泛函理论方法研究了1,4-苯二硫醇分子在两个金团簇之间的表面增强拉曼散射及表面增强共振拉曼散射光谱. 采用对应四种不同形式的电荷转移激发态能量的入射光,计算了表面增强共振拉曼光谱. 结果显示,光谱增强的效果与电荷转移的形式密切相关. 不同的电荷转移形式对增强因子的贡献是有差异的.
关键词:  表面增强拉曼散射,1,4-苯二硫醇分子,表面增强共振拉曼散射,电荷转移
DOI:10.1088/1674-0068/24/06/665-671
分类号: