[en] A Monte-Carlo approach based on hopping rates computed from quantum-chemical calculations is applied to model the energy diffusion dynamics in a polyindenofluorene conjugated polymer on a predetermined chain morphology. While the model predicts faster time-dependent energy evolution than that seen by site-selective experiments and yields a diffusion length that is an order of magnitude larger than typical experimental values, we show that these discrepancies can be corrected by introducing a low concentration of traps in the transport simulations. Implications for conjugated polymer based opto-electronic devices are discussed.
Disciplines :
Physics
Author, co-author :
Athanasopoulos, Stavros ; Université de Mons > Faculté des Sciences > Chimie des matériaux nouveaux
Hennebicq, E.
Beljonne, David ; Université de Mons > Faculté de Médecine et de Pharmacie > Chimie générale, organique et biomédicale ; Université de Mons > Faculté des Sciences > Chimie des matériaux nouveaux
Walker, A.B.
Language :
English
Title :
Trap Limited Exciton Transport in Conjugated Polymers
Publication date :
31 July 2008
Journal title :
Journal of Physical Chemistry. C, Nanomaterials and interfaces
ISSN :
1932-7447
Publisher :
American Chemical Society, Washington, United States - District of Columbia
Volume :
112
Issue :
30
Pages :
11532-11538
Peer reviewed :
Peer Reviewed verified by ORBi
Research unit :
S817 - Chimie des matériaux nouveaux
Research institute :
R400 - Institut de Recherche en Science et Ingénierie des Matériaux
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