Coherent carrier and exciton transport in organic semiconductors

Robert Binder; Wjatscheslaw Popp; Dominik Brey; Irene Burghardt

doi:10.1117/12.2556073

13 April 2020 Coherent carrier and exciton transport in organic semiconductors

Robert Binder, Wjatscheslaw Popp, Dominik Brey, Irene Burghardt

Proceedings Volume 11345, Nanophotonics VIII; 113451M (2020) https://doi.org/10.1117/12.2556073
Event: SPIE Photonics Europe, 2020, Online Only

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.

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Robert Binder, Wjatscheslaw Popp, Dominik Brey, and Irene Burghardt "Coherent carrier and exciton transport in organic semiconductors", Proc. SPIE 11345, Nanophotonics VIII, 113451M (13 April 2020); https://doi.org/10.1117/12.2556073

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