Title: Photo-induced electron kinetics in composite functional materials  ––  The computing, measuring and manipulating of dipole moment

Speaker: Prof. Jun Jiang, University of Science and Technology of China.

Date/Time: 3:30 PM, Sep.6, 2016 (Tues.)

Location: Room 202 in the Lujiaxi Building

Abstract:

Many physics and chemistry applications rely on the detection and control of electron kinetics. Using first-principle based theoretical tools, we have performed through investigations on the photo-induced electron kinetics behavior in composite structures, including: 1) Develop a quantum mechanics/molecular mechanics simulation protocol for nonlinear spectroscopy of interesting composite-structures under the environmental fluctuations; 2) Propose to use electronic dipole moment as a convenient descriptor in describing the effect of various parameters including structures, size, morphology, facet, external field; 3) Demonstrate that dipole moment can be accurately computed and measured, based on which electron kinetics simulations can guide experiments to manipulate interactions between dipoles. This not only helps reveal information for key processes of photon-electron interactions, electron–hole recombination, and charge migrations, but also leads to efficient design of composite functional materials.