"Rate-limited effect" of reverse intersystem crossing process: the key for tuning thermally activated delayed fluorescence lifetime and efficiency roll-off of organic light emitting diodes

Chemical Science
Xinyi CaiShi-Jian Su

Abstract

Issues concerning excited state lifetime (τTADF) tuning of thermally activated delayed fluorescence (TADF) materials are critical for organic light emitting diode (OLED) applications and other specific fields. For TADF-OLEDs, employing emitters with a short τTADF gives rise to suppressed singlet-triplet annihilation (STA) and triplet-triplet annihilation (TTA), leading to reduced efficiency roll-off at practical relevant brightness (100 and 1000 cd m-2 for display and illumination applications, respectively). Through molecular design, exciton dynamic process rate constants including fluorescence (kF), intersystem crossing (kISC), internal conversion (kIC) and reverse intersystem crossing (kRISC) are selectively altered, affording four representative TADF emitters. Based on lifetime and quantum yield measurements, kF, kISC, kIC and kRISC are calculated for four emitters and their interrelationship matches corrected time-dependent density functional theory simulation. Among them, even with a small kF, low photoluminescence quantum efficiency (Φ) and large kISC, molecules with a small singlet-triplet splitting energy (ΔEST) and lowest charge transfer triplet excited state (3CT) eventuate in shortening the τTADF. Herein, kRISC, whi...Continue Reading

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Citations

Nov 27, 2018·Chemistry, an Asian Journal·Jiajie ZengBen Zhong Tang
Jul 22, 2018·Physical Chemistry Chemical Physics : PCCP·Li-Li WangHai-Yang Liu
Mar 3, 2018·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Tiago PalmeiraMário N Berberan-Santos
Jan 25, 2017·Chemical Society Reviews·Zhiyong YangMatthew P Aldred
Mar 4, 2017·Advanced Materials·Michael Y Wong, Eli Zysman-Colman
Jan 21, 2021·ACS Applied Materials & Interfaces·Wei LiShi-Jian Su
May 19, 2021·Chemical Society Reviews·Megan Amy Bryden, Eli Zysman-Colman
Sep 21, 2021·The Journal of Physical Chemistry. B·Mushraf HussainOmar F Mohammed

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Methods Mentioned

BETA
phosphorescence

Software Mentioned

Multiwfn

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