报告人：王琳教授 Tohoku University

报告题目：Understanding the microscopic interfaces through computational sum frequency generation spectroscopy   

报告时间：2022年12月14日下午13:00

报告地点：腾讯会议：686-687-966

报告摘要：

The interfacial chemical phenomenon plays an important role in modern chemistry and chemical engineering process. However, the detecting and microscopic understanding of the interfaces is still limited due to a lack of surface-specific techniques. Recent sum frequency generation (SFG) spectroscopy has been established as a powerful interface probe technique and provides valuable information at various interfaces. The analysis of SFG spectra can provide orientational information and interfacial layer structure on the molecular level. However, the observed SFG spectra are often hard to be interpreted and reliable theoretical support is strongly desirable. In the theoretical part, the simulation study of SFG is quite challenging. Currently, most theoretical studies of SFG spectra focus on the aqueous interfaces and O-H stretching vibrations. The organic interfaces, such as organic monolayer interfaces, and non-aqueous electrolyte interfaces, are less investigated because of the lacking of an accurate molecular force ­field. In this presentation, I would like to introduce the systematic method to realize the simulation of SFG spectra and the analysis of microscopic information of interfaces with the help of molecular simulation. I will discuss our recent theoretical work on quantitative analysis of SFG spectra at organic interfaces. This work provides new aspects in the study of organic interfaces through the SFG technique.

个人简介 ：

王琳博士本科毕业于上海交通大学，后于2013年在上海交通大学化学化工学院获得博士学位。同年加入日本京都大学ESICB计划进行博士后工作。2014年起加入日本東北大学理学部化学系，任职助理教授。研究方向为利用分子模拟方法结合光谱计算，解明界面微观结构与物理化学性质。在J. Phys. Chem. Lett., J. Phys. Chem. C, J. Chem. Phys.等期刊发表30多篇学术论文。在界面和频光谱领域的理论研究工作于2021年被日本分子科学会表彰奖励。学术成果被Chem-Station等媒体进行专题报道。

联系人：程涛教授