Simulation of Charge and Energy Transfer in Organic Photovoltaics
Project Leaders: T. Baruah, K.Delaney
Collaborators: G. Fredrickson
Research Goals:The goal of the computer simulation is to complement the experimental work on organic active material by providing understanding of the charge and excitation energy transfer processes. The calculations will be done using density functional theory. One of the goals is to understand the effects of using endohedral fullerenes as acceptor. Another is to understand the effects of solvents on the charge transfer energy of such complexes. This work is to be carried out by T. Baruah (UTEP) and K. Delaney (UCSB).