Wan Fu, Shi Haiyang, Chen Weigen, Gu Zhaoliang, Du Lingling, Wang Pinyi, Wang Jianxin, Huang Yingzhou
State Key Laboratory of Power Transmission Equipment & System Security and New Technology, Chongqing University, Chongqing 400044, China.
Soft Matter and Interdisciplinary Research Center, College of Physics, Chongqing University, Chongqing 400044, China.
Nanomaterials (Basel). 2017 Aug 2;7(8):210. doi: 10.3390/nano7080210.
The detection of furfural in transformer oil through surface enhanced Raman spectroscopy (SERS) is one of the most promising online monitoring techniques in the process of transformer aging. In this work, the Raman of individual furfural molecules and SERS of furfural-M (M = Ag, Au, Cu) complexes are investigated through density functional theory (DFT). In the Raman spectrum of individual furfural molecules, the vibration mode of each Raman peak is figured out, and the deviation from experimental data is analyzed by surface charge distribution. In the SERS of furfural-M complexes, the influence of atom number and species on SERS chemical enhancement factors (EFs) are studied, and are further analyzed by charge transfer effect. Our studies strengthen the understanding of charge transfer effect in the SERS of furfural molecules, which is important in the online monitoring of the transformer aging process through SERS.
通过表面增强拉曼光谱（SERS）检测变压器油中的糠醛是变压器老化过程中最具前景的在线监测技术之一。在这项工作中，通过密度泛函理论（DFT）研究了单个糠醛分子的拉曼光谱以及糠醛 - M（M = Ag、Au、Cu）配合物的SERS。在单个糠醛分子的拉曼光谱中，确定了每个拉曼峰的振动模式，并通过表面电荷分布分析了与实验数据的偏差。在糠醛 - M配合物的SERS中，研究了原子数量和种类对SERS化学增强因子（EFs）的影响，并通过电荷转移效应进行了进一步分析。我们的研究加深了对糠醛分子SERS中电荷转移效应的理解，这对于通过SERS在线监测变压器老化过程具有重要意义。
