Dynamical Arrest, Structural Disorder, and Optimization of Organic Photovoltaic Devices

[摘要] This project describes fundamental experimental and theoretical work that relates to charge separation and migration in the solid, heterogeneous or aggregated state. Marcus theory assumes a system in equilibrium with all possible solvent (dipolar) configurations, with rapid interconversion among these on the ET timescale. This project has addressed the more general situation where the medium is at least partially frozen on the ET timescale, i.e. under conditions of dynamical arrest. The approach combined theory and experiment and includes: (1) Computer simulations of model systems, (2) Development of analytical procedures consistent with computer experiment and (3) Experimental studies and testing of the formal theories on this data. Electron transfer processes are unique as a consequence of the close connection between kinetics, spectroscopy and theory, which is an essential component of this work.

[发布日期] 2014-09-11

[学科分类] 化学（综合）

[关键词] Photochemistry;Electron Transfer;Theory