Virtual Screening of TADF Emitters for Single-Layer OLEDs

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

doi:10.3389/fchem.2021.800027

Virtual Screening of TADF Emitters for Single-Layer OLEDs

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

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

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.

Original language	English (US)
Journal	Frontiers in Chemistry
Volume	9
DOIs	https://doi.org/10.3389/fchem.2021.800027
State	Published - Dec 16 2021
Externally published	Yes

Bibliographical note

KAUST Repository Item: Exported on 2022-01-18
Acknowledged KAUST grant number(s): OSR-2018-CARF/CCF-3079, OSR-CRG2018-3746
Acknowledgements: 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.
This publication acknowledges KAUST support, but has no KAUST affiliated authors.

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title = "Virtual Screening of TADF Emitters for Single-Layer OLEDs",

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.",

author = "Kun-Han Lin and Wetzelaer, {Gert-Jan A. H.} and Blom, {Paul W. M.} and Denis Andrienko",

note = "KAUST Repository Item: Exported on 2022-01-18 Acknowledged KAUST grant number(s): OSR-2018-CARF/CCF-3079, OSR-CRG2018-3746 Acknowledgements: 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. This publication acknowledges KAUST support, but has no KAUST affiliated authors.",

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doi = "10.3389/fchem.2021.800027",

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AU - Lin, Kun-Han

AU - Wetzelaer, Gert-Jan A. H.

AU - Blom, Paul W. M.

AU - Andrienko, Denis

N1 - KAUST Repository Item: Exported on 2022-01-18 Acknowledged KAUST grant number(s): OSR-2018-CARF/CCF-3079, OSR-CRG2018-3746 Acknowledgements: 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. This publication acknowledges KAUST support, but has no KAUST affiliated authors.

PY - 2021/12/16

Y1 - 2021/12/16

N2 - 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.

AB - 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.

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

UR - https://www.frontiersin.org/articles/10.3389/fchem.2021.800027/full

UR - http://www.scopus.com/inward/record.url?scp=85121995357&partnerID=8YFLogxK

U2 - 10.3389/fchem.2021.800027

DO - 10.3389/fchem.2021.800027

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SN - 2296-2646

VL - 9

JO - Frontiers in Chemistry

JF - Frontiers in Chemistry

ER -

Virtual Screening of TADF Emitters for Single-Layer OLEDs

Abstract

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