Unified model for singlet fission within a non-conjugated covalent pentacene dimer

Basel B, Zirzlmeier J, Hetzer C, Phelan BT, Krzyaniak MD, Seelam RR, Brana Coto P, Horwitz NE, Young RM, White FJ, Hampel F, Clark T, Thoss M, Tykwinski R, Wasielewski MR, Guldi DM (2017)

Publication Status: Published

Publication Type: Journal article

Publication year: 2017

Journal

Nature Communications Nature Publishing Group: Nature Communications

Publisher: NATURE PUBLISHING GROUP

Book Volume: 8

DOI: 10.1038/ncomms15171

Abstract

When molecular dimers, crystalline films or molecular aggregates absorb a photon to produce a singlet exciton, spin-allowed singlet fission may produce two triplet excitons that can be used to generate two electron-hole pairs, leading to a predicted similar to 50% enhancement in maximum solar cell performance. The singlet fission mechanism is still not well understood. Here we report on the use of time-resolved optical and electron paramagnetic resonance spectroscopy to probe singlet fission in a pentacene dimer linked by a non-conjugated spacer. We observe the key intermediates in the singlet fission process, including the formation and decay of a quintet state that precedes formation of the pentacene triplet excitons. Using these combined data, we develop a single kinetic model that describes the data over seven temporal orders of magnitude both at room and cryogenic temperatures.

Authors with CRIS profile

Bettina Basel Lehrstuhl für Physikalische Chemie I Johannes Zirzlmeier Lehrstuhl für Physikalische Chemie I Constantin Hetzer Lehrstuhl für Anorganische und Allgemeine Chemie Rajagopala Reddy Seelam Professur für Theoretische Physik mit dem Schwerpunkt Molekulare Materialien Pedro Brana Coto Professur für Theoretische Physik mit dem Schwerpunkt Molekulare Materialien Frank Hampel Lehrstuhl für Organische Chemie I Timothy Clark Computer-Chemie-Centrum (CCC) Michael Thoss Professur für Theoretische Physik mit dem Schwerpunkt Molekulare Materialien Rik Tykwinski Lehrstuhl für Organische Chemie I Dirk Michael Guldi Lehrstuhl für Physikalische Chemie I

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials (EAM)

Involved external institutions

Rigaku Europe SE DE Germany (DE) Northwestern University US United States (USA) (US)

How to cite

APA:

Basel, B., Zirzlmeier, J., Hetzer, C., Phelan, B.T., Krzyaniak, M.D., Seelam, R.R.,... Guldi, D.M. (2017). Unified model for singlet fission within a non-conjugated covalent pentacene dimer. Nature Communications, 8. https://doi.org/10.1038/ncomms15171

MLA:

Basel, Bettina, et al. "Unified model for singlet fission within a non-conjugated covalent pentacene dimer." Nature Communications 8 (2017).

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