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Organic Photovoltaics: Elucidating the Ultra‐Fast Exciton Dissociation Mechanism in Disordered Materials
Author(s) -
Heitzer Henry M.,
Savoie Brett M.,
Marks Tobin J.,
Ratner Mark A.
Publication year - 2014
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201402568
Subject(s) - exciton , dissociation (chemistry) , delocalized electron , chemical physics , organic solar cell , photovoltaics , biexciton , kinetic monte carlo , materials science , chemistry , nanotechnology , physics , monte carlo method , photovoltaic system , condensed matter physics , polymer , ecology , statistics , mathematics , composite material , biology , organic chemistry
Organic photovoltaics (OPVs) offer the opportunity for cheap, lightweight and mass‐producible devices. However, an incomplete understanding of the charge generation process, in particular the timescale of dynamics and role of exciton diffusion, has slowed further progress in the field. We report a new Kinetic Monte Carlo model for the exciton dissociation mechanism in OPVs that addresses the origin of ultra‐fast (<1 ps) dissociation by incorporating exciton delocalization. The model reproduces experimental results, such as the diminished rapid dissociation with increasing domain size, and also lends insight into the interplay between mixed domains, domain geometry, and exciton delocalization. Additionally, the model addresses the recent dispute on the origin of ultra‐fast exciton dissociation by comparing the effects of exciton delocalization and impure domains on the photo‐dynamics.This model provides insight into exciton dynamics that can advance our understanding of OPV structure–function relationships.