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Phys. Rev. Lett. 100, 107402 (2008) [4 pages]

Phonon-Driven Ultrafast Exciton Dissociation at Donor-Acceptor Polymer Heterojunctions

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Hiroyuki Tamura1, John G. S. Ramon2, Eric R. Bittner2, and Irene Burghardt1
1Département de Chimie, Ecole Normale Supérieure, 24 rue Lhomond, F–75231 Paris cedex 05, France
2Department of Chemistry and Texas Center for Superconductivity, University of Houston, Houston, Texas 77204, USA

Received 13 June 2007; published 12 March 2008

A quantum-dynamical analysis of exciton dissociation at polymer heterojunctions is presented, using a hierarchical electron-phonon model parametrized for three electronic states and 28 vibrational modes. Two representative interfacial configurations are considered, both of which exhibit an ultrafast exciton decay. The efficiency of the process depends critically on the presence of intermediate bridge states, and on the dynamical interplay of high- vs low-frequency phonon modes. The ultrafast, highly nonequilibrium dynamics is consistent with time-resolved spectroscopic observations.

© 2008 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.100.107402
DOI:
10.1103/PhysRevLett.100.107402
PACS:
78.55.Kz, 63.22.−m, 71.20.Rv, 71.35.−y