对巯基苯胺分子的表面增强拉曼光谱的理论研究
Theoretical Studies on Surface-enhanced Raman Spectroscopy (SERS) of p-Aminothiophenol (PATP)
Abstract
表面增强拉曼光谱具有很高的检测灵敏度和可获得高质量的表面吸附分子的拉曼光谱信号，是研究金属纳米结构表面和表面吸附分子的重要的光谱学手段之一。目前，人们对这种增强效应的机理仍缺乏全面理解，常认为主要是来自物理增强和化学增强两种机理，而化学增强机理较为复杂，需要在量子力学水平上进行描述。对巯基苯胺分子（PATP）的双官能团结构使得它在表面增强拉曼光谱的研究中发挥了重要的作用。该分子吸附在粗糙银电极或银纳米结构上表现出所谓的“b2模显著的增强”的现象。目前，文献中有三种不同的化学增强机理来解释这种光谱的变化，但仍不能解释有关PATP实验现象。为了深入理解PATP分子所表现出的SERS光谱增强本质，我... Surface-enhanced Raman spectroscopy (SERS) is one of the most important techniques in studying the nano-structure surface of metals as it has high sensitivity and can obtain high-quality Raman signals. However, the mechanism of SERS is still not clear and is usually explained with the electromagnetic enhancement and the chemical enhancement, the latter one of which is thought to be complicated. Th...