基于密度泛函理论的研究：金属纳米间隙中对氨基苯硫酚的光致电荷转移和光催化：表面增强拉曼散射
Photon-driven charge transfer and photocatalysis of p-aminothiophenol in metal nanogaps: a DFT study of SERS.
机构信息
State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian, China.
出版信息
Chem Commun (Camb). 2011 Mar 7;47(9):2520-2. doi: 10.1039/c0cc05302c. Epub 2011 Jan 25.
PMID:21267488
Abstract
When p-aminothiophenol (PATP) is used as a probe molecule and adsorbs on silver and gold nanogaps, a significant change of relative SERS intensities can be observed. Our DFT calculations show that surface photocatalytic coupling reactions yield a new surface species of p,p'-dimercaptoazobenzene (DMAB) causing the significant change in the SERS spectra.
摘要
当对氨基苯硫酚（PATP）被用作探针分子并吸附在银和金纳米间隙上时，可以观察到相对表面增强拉曼散射（SERS）强度的显著变化。我们的密度泛函理论（DFT）计算表明，表面光催化偶联反应产生了一种新的表面物种对，即 p,p'-二巯基偶氮苯（DMAB），导致 SERS 光谱发生显著变化。
Zotero 插件