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Molecular Design Strategies for Color Tuning of Blue TADF Emitters.

ABSTRACT: New thermally activated delayed fluorescence (TADF) blue emitter molecules based on the known donor-acceptor-donor (D-A-D)-type TADF molecule, 2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide (DDMA-TXO2), are reported. The motivation for the present investigation is via the use of rational molecular design, based on DDMA-TXO2, to elevate the organic light emitting diode (OLED) performance and obtain deeper blue color coordinates. To achieve this goal, the strength of the donor (D) unit and acceptor (A) units have been tuned with methyl substituents. The methyl functionality on the acceptor was also expected to modulate the D-A torsion angle in order to obtain a blue shift in the electroluminescence. The effect of regioisomeric structures has also been investigated. Herein, we report the photophysical, electrochemical, and single-crystal X-ray crystallography data to assist with the successful OLED design. The methyl substituents on the DDMA-TXO2 framework have profound effects on the photophysics and color coordinates of the emitters. The weak electron-donating methyl groups alter the redox properties of the D and A units and consequently affect the singlet and triplet levels but not the energy gap (ΔE_ST). By systematically manipulating all of the aforementioned factors, devices have been obtained with acceptor-substituted III with a maximum external quantum efficiency of 22.6% and Commission Internationale de l'Éclairage coordinates of (0.15, 0.18) at 1000 cd m^-2.

SUBMITTER: Stachelek P

PROVIDER: S-EPMC7006999 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature

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Molecular Design Strategies for Color Tuning of Blue TADF Emitters.

Stachelek Patrycja P Ward Jonathan S JS Dos Santos Paloma L PL Danos Andrew A Colella Marco M Haase Nils N Raynes Samuel J SJ Batsanov Andrei S AS Bryce Martin R MR Monkman Andrew P AP

ACS applied materials & interfaces 20190717 30

New thermally activated delayed fluorescence (TADF) blue emitter molecules based on the known donor-acceptor-donor (D-A-D)-type TADF molecule, 2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethylthioxanthene-<i>S</i>,<i>S</i>-dioxide (DDMA-TXO2), are reported. The motivation for the present investigation is via the use of rational molecular design, based on DDMA-TXO2, to elevate the organic light emitting diode (OLED) performance and obtain deeper blue color coordinates. To achieve this goal, the str ...[more]

PMID: 31314484

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Project description:Multi-resonance thermally activated delayed fluorescence (MR-TADF) materials of polycyclic heteroaromatics are attractive narrowband emitters in wide-color-gamut organic light-emitting diodes (OLEDs). However, deep-blue MR-TADF emitters with CIE coordinates fulfilling the BT.2020 standard and high efficiency still remain a significant challenge. Herein, two novel emitters NBO-mSAF and NBO-pSAF were developed by incorporating an electron donor, 10H-spiro[acridine-9,9'-fluorene] (SAF), at the para-position of the oxygen atom and the para-position of the boron atom in the nitrogen/boron/oxygen (N/B/O) ternary doped asymmetric MR skeleton. With appropriate electron-donating capacity and rigid spiro-structure, SAF was selected as the donor so that the long-range charge transfer triplet state (3LRCT) is induced to accelerate the reverse intersystem crossing (RISC) process, while the 1LRCT aligns higher than the short-range CT state (1SRCT) of the N/B/O core to retain the MR characters. As a result, these optimized emitters exhibit deep-blue TADF with narrow spectra and a high RISC rate constant of 3.4 × 105 s-1. In hyperfluorescence OLEDs with a TADF emitter DMAC-DPS as the sensitizer and PPF as the host, NBO-mSAF and NBO-pSAF achieved maximum external quantum efficiencies (EQEmax) of 26.7% and 25.2%. Interestingly, improved performance was realized in a traditional device configuration with a single bipolar host 26DCzPPy but without any sensitizer, where NBO-mSAF realized a higher EQEmax of 29.5% and CIE (0.128, 0.114), and NBO-pSAF exhibited an EQEmax of 20.5% and CIE of (0.147, 0.048). Narrow full width at half maximum (FWHM) values of 26-28 nm were achieved in both devices. Among all the deep-blue N/B/O type MR-TADF emitters with CIEx ≤ 0.15 and CIEy ≤ 0.12 ever reported so far, NBO-mSAF exhibited a highest EQEmax of 29.5%, which is even higher than those obtained with sensitizers, while the CIEy = 0.048 of the NBO-pSAF device is close to the standard blue (0.046) according to BT.2020, with a decent EQE of 20%.

Dataset Information

Molecular Design Strategies for Color Tuning of Blue TADF Emitters.

Publications

Molecular Design Strategies for Color Tuning of Blue TADF Emitters.

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