Virtual Screening of TADF Emitters for Single-Layer OLEDs

Lin, Kun-Han; Wetzelaer, Gert-Jan A. H.; Blom, Paul W. M.; Andrienko, Denis

Type

Article

Authors

Lin, Kun-Han
Wetzelaer, Gert-Jan A. H.
Blom, Paul W. M.
Andrienko, Denis

KAUST Grant Number

OSR-2018-CARF/CCF-3079
OSR-CRG2018-3746

Date

2021-12-16

Permanent link to this record

http://hdl.handle.net/10754/674992

Metadata

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Abstract

Thermally-activated delayed fluorescence (TADF) is a concept which helps to harvest triplet excitations, boosting the efficiency of an organic light-emitting diode. TADF can be observed in molecules with spatially separated donor and acceptor groups with a reduced triplet-singlet energy level splitting. TADF materials with balanced electron and hole transport are attractive for realizing efficient single-layer organic light emitting diodes, greatly simplifying their manufacturing and improving their stability. Our goal here is to computationally screen such materials and provide a comprehensive database of compounds with a range of emission wavelengths, ionization energies, and electron affinities.

Citation

Lin, K.-H., Wetzelaer, G.-J. A. H., Blom, P. W. M., & Andrienko, D. (2021). Virtual Screening of TADF Emitters for Single-Layer OLEDs. Frontiers in Chemistry, 9. doi:10.3389/fchem.2021.800027

Sponsors

This publication is based on work supported by the KAUST Office of Sponsored Research (OSR) under award nos. OSR-2018-CARF/CCF-3079 and OSR-CRG2018-3746.
DA acknowledges the KAUST PSE Division for hosting his sabbatical in the framework of the Division’s Visiting Faculty program. DA acknowledges funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) for financial support through the collaborative research centers TRR 146, SPP 2196, and grant number 460766640. K-HL acknowledges the financial support from the Swiss NSF Early Postdoc Mobility fellowship (Grant no. P2ELP2_195156). The authors thank Wenlan Liu, Mukunda Mandal, Christoph Scherer, Leanne Paterson and Naoimi Kinaret for fruitful discussions and proof-reading of the manuscript.