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Quantum dynamics of ultrafast photoinduced processes in organic semiconductors: exciton dissociation at polymer heterojunctions
Author(s) -
Burghardt Irene,
Bittner Eric R.,
Tamura Hiroyuki
Publication year - 2007
Publication title -
pamm
Language(s) - English
Resource type - Journals
ISSN - 1617-7061
DOI - 10.1002/pamm.200700705
Subject(s) - exciton , dissociation (chemistry) , ultrashort pulse , phonon , quantum , heterojunction , semiconductor , quantum mechanics , polymer , physics , chemical physics , materials science , chemistry , nuclear magnetic resonance , laser
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)