Organic photovoltaics: Elucidating the ultra-fast exciton dissociation mechanism in disordered materials

Henry M. Heitzer, Brett M. Savoie, Tobin J. Marks, Mark A. Ratner

Research output: Contribution to journalArticlepeer-review

41 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)7456-7460
Number of pages5
JournalAngewandte Chemie - International Edition
Issue number29
StatePublished - Jul 14 2014


  • FRET
  • donor-acceptor systems
  • energy transfer
  • molecular modeling
  • organic photovoltaics

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)


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