Dataset Information

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.

SUBMITTER: Lin KH

PROVIDER: S-EPMC8716429 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature

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Publications

Virtual Screening of TADF Emitters for Single-Layer OLEDs.

Lin Kun-Han KH Wetzelaer Gert-Jan A H GAH Blom Paul W M PWM Andrienko Denis D

Frontiers in chemistry 20211216

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 t ...[more]

PMID: 34976956

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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

Virtual Screening of TADF Emitters for Single-Layer OLEDs.

Publications

Virtual Screening of TADF Emitters for Single-Layer OLEDs.

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