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Proceedings Paper

Coherent carrier and exciton transport in organic semiconductors
Author(s): Robert Binder; Wjatscheslaw Popp; Dominik Brey; Irene Burghardt
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Paper Abstract

We report on quantum dynamical studies of ultrafast photo-induced energy and charge transfer in organic semiconductor materials, complementing time-resolved spectroscopic observations that underscore the coherent nature of the ultrafast elementary transfer events in these molecular aggregate systems. Our approach combines first-principles parametrized Hamiltonians with accurate quantum dynamics simulations using multiconfigurational methods, along with semiclassical approaches. This paper focuses on the elementary mechanism of coherent exciton migration and creation of charge-transfer excitons in polythiophene type materials, representative of the poly(3-hexylthiophene) (P3HT) polymer. Special emphasis is placed on the interplay of trapping due to high-frequency phonon modes, and thermal activation due to low-frequency ”soft” modes which drive a diffusive dynamics.

Paper Details

Date Published: 13 April 2020
PDF: 9 pages
Proc. SPIE 11345, Nanophotonics VIII, 113451M (13 April 2020); doi: 10.1117/12.2556073
Show Author Affiliations
Robert Binder, Goethe-Univ. Frankfurt am Main (Germany)
Wjatscheslaw Popp, Goethe-Univ. Frankfurt am Main (Germany)
Dominik Brey, Goethe-Univ. Frankfurt am Main (Germany)
Irene Burghardt, Goethe-Univ. Frankfurt am Main (Germany)

Published in SPIE Proceedings Vol. 11345:
Nanophotonics VIII
David L. Andrews; Angus J. Bain; Martti Kauranen; Jean-Michel Nunzi, Editor(s)

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