Physics – Chemical Physics
Scientific paper
2012-02-26
Physics
Chemical Physics
16 pages, 14 figures
Scientific paper
We present a theoretical model for the study of exciton dynamics in J-aggregated monolayers of fluorescent dyes. The excitonic evolution is described by a Monte-Carlo wave function approach which allows for a unified description of the quantum (ballistic) and classical (diffusive) propagation of an exciton on a lattice in different parameter regimes. The transition between the ballistic and diffusive regime is controlled by static and dynamic disorder. As an example, the model is applied to three cyanine dye J-aggregates: TC, TDBC, and U3. Each of the molecule-specific structure and excitation parameters are estimated using time-dependent density functional theory. The exciton diffusion coefficients are calculated and analyzed for different degrees of film disorder and are correlated to the physical properties and the structural arrangement of molecules in the aggregates. Further, exciton transport is anisotropic and dependent on the initial exciton energy. The upper-bound estimation of the exciton diffusion length in the TDBC thin-film J-aggregate is of the order of hundreds of nanometers, which is in good qualitative agreement with the diffusion length estimated from experiments.
Aspuru-Guzik Alan
Saikin Semion K.
Valleau Stéphanie
Yung Man-Hong
No associations
LandOfFree
Exciton transport in thin-film cyanine dye J-aggregates does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Exciton transport in thin-film cyanine dye J-aggregates, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Exciton transport in thin-film cyanine dye J-aggregates will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-215573