2015年第13期（No.346 since 2001）

时间：2015年6月4日（星期四）下午 15:00－16:30

Time： 3:00pm, June 4, 2015 (Thursday)

地点：北京大学物理大楼中212教室

Venue： Room 212, Physics Building

题目：Excited state electron-ion dynamics at interface

Title：

摘要：

Abstract： Real-time time-dependent density functional theory (TDDFT) has been implemented using local atomic basis, which enables large scale simulations on electron-ion dynamics at more realistic complex interface systems. The electron-ion evolution is driven by a Hamiltonian that build upon excited state electron density. This allows us to demonstrate the working principles of hybrid solar cells especially that involving charge separation and collection dynamics purely based on quantum mechanics. The method also yields precise prediction of the timescale for ultrafast electron injection from chromophores to semiconductors, in response to various interface structural details (molecular size, anchor group, binding mode, defects) and environment (excitation level, solvents). Consequently we could build a “virtual solar cell” producing macroscopic current-voltage relationships with only input being molecular composition. The methods are also used for investigating ultrafast electron transfer in dichalcogenidesheterostructures, solvated electrons supported on surfaces, and plasmonic water splitting.

报告人： 孟胜研究员

报告人简介：

About speaker：Dr. Sheng Meng is a professor of surface physics at Institute of Physics (IOP), Chinese Academy of Sciences since 2009. He obtained his Bachelor degree in physics from University of Science and Technology of China (USTC) in 2000, and Ph.D. degree from IOP/Chalmers University of Technology, Sweden in 2004. During 2005-2009, he worked at Harvard University’s Department of Physics first as a post-doctoral researcher then a research associate.

Dr. Meng’s research interests focus on quantuminteraction and excited state quantum dynamics at materials surface. His previous work started with simple and mysterious molecule: water. Current interests include ambient quantum materials, DNA-nanotube interaction, and energy conversion mechanisms in artificial photosynthesis. He has published ~80 technical papers in peer-reviewed journals, and has received 2600+ citations.

联系教授：李新征研究员

Host professor：xzli@pku.edu.cn