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Diindolocarbazole – achieving multiresonant thermally activated delayed fluorescence without the need for acceptor units

Hall, David; Stavrou, Kleitos; Duda, Eimantas; Danos, Andrew; Bagnich, Sergey; Warriner, Stuart; Slawin, Alexandra M.Z.; Beljonne, David; Köhler, Anna; Monkman, Andrew; Olivier, Yoann; Zysman-Colman, Eli

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Authors

David Hall

Eimantas Duda

Sergey Bagnich

Stuart Warriner

Alexandra M.Z. Slawin

David Beljonne

Anna Köhler

Yoann Olivier

Eli Zysman-Colman



Abstract

In this work we present a new multi-resonance thermally activated delayed fluorescence (MR-TADF) emitter paradigm, demonstrating that the structure need not require the presence of acceptor atoms. Based on an in silico design, the compound DiICzMes4 possesses a red-shifted emission, enhanced photoluminescence quantum yield, and smaller singlet-triplet energy gap, ΔEST, than the parent indolocarbazole that induces MR-TADF properties. Coupled cluster calculations accurately predict the magnitude of the ΔEST when the optimized singlet and triplet geometries are used. Slow yet optically detectable reverse intersystem crossing contributes to low efficiency in organic light-emitting diodes using DiICzMes4 as the emitter. However, when used as a terminal emitter in combination with a TADF assistant dopant within a hyperfluorescence device architecture, maximum external quantum efficiencies of up to 16.5% were achieved at CIE (0.15, 0.11). This represents one of the bluest hyperfluorescent devices reported to date. Simultaneously, recognising that MR-TADF emitters do not require acceptor atoms reveals an unexplored frontier in materials design, where yet greater performance may yet be discovered.

Citation

Hall, D., Stavrou, K., Duda, E., Danos, A., Bagnich, S., Warriner, S., …Zysman-Colman, E. (2022). Diindolocarbazole – achieving multiresonant thermally activated delayed fluorescence without the need for acceptor units. Materials Horizons, 9(3), 1068-1080. https://doi.org/10.1039/d1mh01383a

Journal Article Type Article
Acceptance Date Dec 16, 2021
Online Publication Date Jan 24, 2022
Publication Date Mar 1, 2022
Deposit Date Feb 18, 2022
Publicly Available Date Feb 18, 2022
Journal Materials Horizons
Electronic ISSN 2051-6355
Publisher Royal Society of Chemistry
Peer Reviewed Peer Reviewed
Volume 9
Issue 3
Pages 1068-1080
DOI https://doi.org/10.1039/d1mh01383a

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