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Calculation of rates of exciton dissociation into hot charge-transfer states in model organic photovoltaic interfaces
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Vázquez, Héctor and Troisi, Alessandro (2013) Calculation of rates of exciton dissociation into hot charge-transfer states in model organic photovoltaic interfaces. Physical Review B (Condensed Matter and Materials Physics), Volume 88 (Number 20). Article number 205304. doi:10.1103/PhysRevB.88.205304 ISSN 1098-0121.
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Official URL: http://dx.doi.org/10.1103/PhysRevB.88.205304
Abstract
We investigate the process of exciton dissociation in ordered and disordered model donor/acceptor systems and describe a method to calculate exciton dissociation rates. We consider a one-dimensional system with Frenkel states in the donor material and states where charge transfer has taken place between donor and acceptor. We introduce a Green's function approach to calculate the generation rates of charge-transfer states. For disorder in the Frenkel states we find a clear exponential dependence of charge dissociation rates with exciton-interface distance, with a distance decay constant β that increases linearly with the amount of disorder. Disorder in the parameters that describe (final) charge-transfer states has little effect on the rates. Exciton dissociation invariably leads to partially separated charges. In all cases final states are “hot” charge-transfer states, with electron and hole located far from the interface.
Item Type: | Journal Article | ||||
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Centre for Scientific Computing |
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Journal or Publication Title: | Physical Review B (Condensed Matter and Materials Physics) | ||||
Publisher: | American Physical Society | ||||
ISSN: | 1098-0121 | ||||
Official Date: | 12 November 2013 | ||||
Dates: |
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Volume: | Volume 88 | ||||
Number: | Number 20 | ||||
Article Number: | Article number 205304 | ||||
DOI: | 10.1103/PhysRevB.88.205304 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access |
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