Time: 15:00-16:00, 17th, April, 2015
Location: Meeting Room on the 1st Floor of Energy Infrastructure Building (Building No.5)
Prof. Zhigang Shuai (Tsinghua University)
Abstrat:
Marcus theory has been widely applied in designing organic photoelectric materials. The key parameters of charge transfer can be obtained by calculating the transfer integral and reorganization energy. However, with the improvement of the organic materials properties, the charge mobility in the experiment is much bigger than in theoretical calculation, making the semiclassical approximation inaccurate. The charge mobility obtained by the tunneling model for charge transfer presented by Prof. Shuai’ group can not only coincide with the experimental one, but also explain the contradiction between the results by the optical and electrical measurement. And the negative isotope effect can be forecasted. In addition, the comparison of calculation results by the time-dependent wave packet diffuse model and delocalization band model tell us that the quantum effect caused by the atom nucleus motions is much stronger than the coherent effect of electrons between the molecules.
About the leturer
Academic Posts: Professor, Department of Chemistry, Tsinghua University
Member, Chinese Academy of Sciences Chang Jiang Scholar
Members of “WIRES Computational Molecular Science （WCMS）” International Advisory Board、“Chemical Physics Letters” Advisory Editorial Board、“Theoretical Chemistry Accounts” Editorial Board、“Nanoscale” Advisory Board、“Chemistry Asian Journal” Editorial Board、“J Mater Chem C” Advisory Board、
Education: 1989, Ph.D. in Theoretical Physics, Fudan University
Professional Experiences: Mar.1990-Dec.2001:Postdoctor and research assistant inUMH - Université de Mons-Hainaut, Mons,Charleroi.
Awards and Honors: Young Chemist Award of the Chinese Chemical Society, 2004
Fellows of International Academy of Quantum Molecular Science, 2008
Foreign academician of Belgium Royal College of Science, 2013
Contact: Prof. Weiqiao Deng (9571)