Quantum dynamics of ultrafast photoinduced processes in organic semiconductors: exciton dissociation at polymer heterojunctions |
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| Authors: | Irene Burghardt Eric R Bittner Hiroyuki Tamura |
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| Institution: | 1. Département de Chimie, Ecole Normale Supérieure, 24 rue Lhomond, F–75231 Paris cedex 05, France;2. Department of Chemistry and Texas Center for Superconductivity, University of Houston, Houston, Texas 77204, USA |
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| Abstract: | A molecular-level, quantum-dynamical analysis of phonon-driven exciton dissociation in semiconducting polymers is presented, using a linear vibronic coupling model in conjunction with a recently developed hierarchical chain representation. Quantum-dynamical simulations in 20-30 dimensions are carried out using efficient multiconfigurational techniques. The decay of the exciton towards a charge-separated state is shown to be an ultrafast, coherent process of pronounced non-equilibrium character, which cannot be modeled by conventional kinetic equations. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) |
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