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

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.
Authors:
;
Publication Date:
OSTI Identifier:
1155060
Report Number(s):
DOE-ASU-15908
DOE Contract Number:
FG02-07ER15908
Resource Type:
Technical Report
Research Org:
Arizona State University
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Photochemistry; Electron Transfer; Theory