Pyrazine-Based Blue Thermally Activated Delayed Fluorescence Materials: Combine Small Singlet–Triplet Splitting With Large Fluorescence Rate

Metal-free thermally activated delayed fluorescence (TADF) emitters have emerged as promising candidate materials for highly efficient and low-cost organic light-emitting diodes (OLEDs). Here, a novel acceptor 2-cyanopyrazine is selected for the construction of blue TADF molecules via computer-assis...

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Main Authors: Junyuan Liu, Keren Zhou, Dan Wang, Chao Deng, Ke Duan, Qi Ai, Qisheng Zhang
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-05-01
Series:Frontiers in Chemistry
Subjects:
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2019.00312/full
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author Junyuan Liu
Keren Zhou
Dan Wang
Chao Deng
Ke Duan
Qi Ai
Qisheng Zhang
author_facet Junyuan Liu
Keren Zhou
Dan Wang
Chao Deng
Ke Duan
Qi Ai
Qisheng Zhang
author_sort Junyuan Liu
collection DOAJ
description Metal-free thermally activated delayed fluorescence (TADF) emitters have emerged as promising candidate materials for highly efficient and low-cost organic light-emitting diodes (OLEDs). Here, a novel acceptor 2-cyanopyrazine is selected for the construction of blue TADF molecules via computer-assisted molecular design. Both theoretical prediction and experimental photophysical data indicate a small S1-T1 energy gap (ΔEST) and a relative large fluorescence rate (kF) in an o-phenylene-bridged 2-cyanopyrazine/3,6-di-tert-butylcarbazole compound (TCzPZCN). The kF value of 3.7 × 107 s−1 observed in a TCzPZCN doped film is among the highest in the TADF emitters with a ΔEST smaller than 0.1 eV. Blue TADF emission is observed in a TCzPZCN doped film with a short TADF lifetime of 1.9 μs. The OLEDs using TCzPZCN as emitter exhibit a maximum external quantum efficiency (EQE) of 7.6% with low-efficiency roll-off. A sky-blue device containing a derivative of TCzPZCN achieves an improved EQE maximum of 12.2% by suppressing the non-radiative decay at T1.
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spelling doaj.art-ad91a154efc84d2fb02d34b5018255402022-12-21T18:23:48ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462019-05-01710.3389/fchem.2019.00312456712Pyrazine-Based Blue Thermally Activated Delayed Fluorescence Materials: Combine Small Singlet–Triplet Splitting With Large Fluorescence RateJunyuan LiuKeren ZhouDan WangChao DengKe DuanQi AiQisheng ZhangMetal-free thermally activated delayed fluorescence (TADF) emitters have emerged as promising candidate materials for highly efficient and low-cost organic light-emitting diodes (OLEDs). Here, a novel acceptor 2-cyanopyrazine is selected for the construction of blue TADF molecules via computer-assisted molecular design. Both theoretical prediction and experimental photophysical data indicate a small S1-T1 energy gap (ΔEST) and a relative large fluorescence rate (kF) in an o-phenylene-bridged 2-cyanopyrazine/3,6-di-tert-butylcarbazole compound (TCzPZCN). The kF value of 3.7 × 107 s−1 observed in a TCzPZCN doped film is among the highest in the TADF emitters with a ΔEST smaller than 0.1 eV. Blue TADF emission is observed in a TCzPZCN doped film with a short TADF lifetime of 1.9 μs. The OLEDs using TCzPZCN as emitter exhibit a maximum external quantum efficiency (EQE) of 7.6% with low-efficiency roll-off. A sky-blue device containing a derivative of TCzPZCN achieves an improved EQE maximum of 12.2% by suppressing the non-radiative decay at T1.https://www.frontiersin.org/article/10.3389/fchem.2019.00312/fullthermally activated delayed fluorescence (TADF)pyrazineblue organic light-emitting diodes (OLED)fluorescence rate constantsinglet-triplet splitting
spellingShingle Junyuan Liu
Keren Zhou
Dan Wang
Chao Deng
Ke Duan
Qi Ai
Qisheng Zhang
Pyrazine-Based Blue Thermally Activated Delayed Fluorescence Materials: Combine Small Singlet–Triplet Splitting With Large Fluorescence Rate
Frontiers in Chemistry
thermally activated delayed fluorescence (TADF)
pyrazine
blue organic light-emitting diodes (OLED)
fluorescence rate constant
singlet-triplet splitting
title Pyrazine-Based Blue Thermally Activated Delayed Fluorescence Materials: Combine Small Singlet–Triplet Splitting With Large Fluorescence Rate
title_full Pyrazine-Based Blue Thermally Activated Delayed Fluorescence Materials: Combine Small Singlet–Triplet Splitting With Large Fluorescence Rate
title_fullStr Pyrazine-Based Blue Thermally Activated Delayed Fluorescence Materials: Combine Small Singlet–Triplet Splitting With Large Fluorescence Rate
title_full_unstemmed Pyrazine-Based Blue Thermally Activated Delayed Fluorescence Materials: Combine Small Singlet–Triplet Splitting With Large Fluorescence Rate
title_short Pyrazine-Based Blue Thermally Activated Delayed Fluorescence Materials: Combine Small Singlet–Triplet Splitting With Large Fluorescence Rate
title_sort pyrazine based blue thermally activated delayed fluorescence materials combine small singlet triplet splitting with large fluorescence rate
topic thermally activated delayed fluorescence (TADF)
pyrazine
blue organic light-emitting diodes (OLED)
fluorescence rate constant
singlet-triplet splitting
url https://www.frontiersin.org/article/10.3389/fchem.2019.00312/full
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