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    Virtual Screening of TADF Emitters for Single-Layer OLEDs

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    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.
    Publisher
    Frontiers Media SA
    Journal
    Frontiers in Chemistry
    DOI
    10.3389/fchem.2021.800027
    PubMed ID
    34976956
    PubMed Central ID
    PMC8716429
    Additional Links
    https://www.frontiersin.org/articles/10.3389/fchem.2021.800027/full
    ae974a485f413a2113503eed53cd6c53
    10.3389/fchem.2021.800027
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