Virtual Screening of TADF Emitters for Single-Layer OLEDs.
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ABSTRACT:
SUBMITTER: Lin KH
PROVIDER: S-EPMC8716429 | biostudies-literature |
REPOSITORIES: biostudies-literature
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Project description:Simultaneously achieving high efficiency and low efficiency roll-off remains a big challenge for OLEDs based on thermally activated delayed fluorescence (TADF) emitters. To address this issue, we elaborately designed and synthesized a series of new emitters with both TADF and aggregation-induced emission (AIE) properties by introducing 9,9-dimethyl-9,10-dihydroacridine (DMAC) or 10H-phenoxazine (PXZ) as donor units into a quinoxaline framework. By tuning the electron-donating capability of the donor as well as the amount of donor unit, the photophysical properties of the TADF-AIE emitters can be systematically regulated, with emissions ranging from green to red. We demonstrated efficient doped OLEDs with a maximum EQE of 22.4%, a maximum current efficiency (CEmax) of 80.3 cd A-1 and a maximum power efficiency (PEmax) of 64.1 lm W-1 for the green device, and an EQEmax of 14.1%, a CEmax of 36.1 cd A-1 and a PEmax of 28.1 lm W-1 for the orange device. Remarkably, these orange devices rendered small roll-offs of 1.4% and 21.3% respectively at a luminance of 100 and 1000 cd m-2. Attributed to the unique TADF and AIE features, the non-doped devices perform outstandingly with an EQEmax of 12.0%, a CEmax of 41.2 cd A-1 and a PEmax of 45.4 lm W-1.
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Project description:To suppress efficiency roll-off induced by triplet-triplet annihilation (TTA) and singlet-triplet annihilation (STA) in thermally activated delayed fluorescence (TADF) based organic light emitting diodes (OLEDs) is still a challenge. This issue was efficiently addressed by generating dual delayed fluorescence in the emitting layer of OLEDs. A novel TADF compound, PXZ-CMO, featuring a D-A structure was designed and synthesized. By dispersing the emitter into different hosts, devices G1 (MCP host) and G2 (DPEPO host) with identical configurations were carefully fabricated, which showed similar maximum EQE/CE of 12.1%/38.2 cd A-1 and 11.8%/33.1 cd A-1, respectively. Despite severe efficiency roll-off in device G2 with only 6.4% EQE remaining at a luminance of 1,000 cd m-2, a remarkably reduced efficiency roll-off was attained in device G1, retaining EQE as high as 10.4% at the same luminance of 1,000 cd m-2. The excellent device performance with reduced roll-off in device G1 should result from the dual delayed fluorescence in the emitting layer, which possesses great advantages in achieving dynamic and adaptive exciton distribution for radiation acceleration and quench suppression.
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Project description:Thermally-activated delayed fluorescence (TADF) emitters-just like phosphorescent ones-can in principle allow for 100% internal quantum efficiency of organic light-emitting diodes (OLEDs), because the initially formed electron-hole pairs in the non-emissive triplet state can be efficiently converted into emissive singlets by reverse intersystem crossing. However, as compared to phosphorescent emitter complexes with their bulky-often close to spherical-molecular structures, TADF emitters offer the advantage to align them such that their optical transition dipole moments (TDMs) lie preferentially in the film plane. In this report, we address the question which factors control the orientation of TADF emitters. Specifically, we discuss how guest-host interactions may be used to influence this parameter and propose an interplay of different factors being responsible. We infer that emitter orientation is mainly governed by the molecular shape of the TADF molecule itself and by the physical properties of the host-foremost, its glass transition temperature Tg and its tendency for alignment being expressed, e.g., as birefringence or the formation of a giant surface potential of the host. Electrostatic dipole-dipole interactions between host and emitter are not found to play an important role.
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Project description:The mechanism of thermally activated delayed fluorescence (TADF) in dendrimers is not clear. We report that fully-conjugated or fully-nonconjugated structures cause unwanted degenerate excited states due to multiple identical dendrons, which limit their TADF efficiency. We have synthesized asymmetrical "half-dendronized" and "half-dendronized-half-encapsulated" emitters. By eliminating degenerate excited states, the triplet locally excited state is ≥0.3 eV above the lowest triplet charge-transfer state, assuring a solely thermal equilibrium route for an effective spin-flip process. The isolated encapsulating tricarbazole unit can protect the TADF unit, reducing nonradiative decay and enhancing TADF performance. Non-doped solution-processed devices reach a high external quantum efficiency (EQEmax ) of 24.0 % (65.9 cd A-1 , 59.2 lm W-1 ) with CIE coordinates of (0.24, 0.45) with a low efficiency roll-off and EQEs of 23.6 % and 21.3 % at 100 and 500 cd m-2 .
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Project description:Four aryl-substituted acridan derivatives were designed, synthesized and characterized as electroactive materials for organic light emitting diodes based on emitters exhibiting thermally activated delayed fluorescence. These compounds possessed relatively high thermal stability with glass-transition temperatures being in the range of 79-97 °C. The compounds showed oxidation bands arising from acridanyl groups in the range of 0.31-038 V. Ionization potentials of the solid films ranged from 5.39 to 5.62 eV. The developed materials were characterized by triplet energies higher than 2.5 eV. The layer of 10-ethyl-9,9-dimethyl-2,7-di(naphthalen-1-yl)-9,10-dihydroacridine demonstrated hole mobilities reaching10-3 cm2/V·s at electric fields higher then ca. 2.5 × 105 V/cm. The selected compounds were used as hosts in electroluminescent devices which demonstrated maximum external quantum efficiencies up to 3.2%.
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Project description:Organic light-emitting diodes (OLEDs) based on thermally activated delayed fluorescence emitters (TADF) in simple device structures fabricated by solution processing are strongly dependent on a suitable host molecular conformation and morphology. Herein, we report the fabrication of highly efficient yellow-red TADF-based OLEDs via solution processing in a simple, two-organic-layer device structure. The devices were fabricated at different weight concentrations of 5%, 8%, and 10% emitter in an n-/p-type mixed host matrix, and their characteristics were studied. The device performance was compared with different thickness parameters for both the emitting layer (EML) and the electron transport layer (ETL) in various solvents, including chlorobenzene, dichlorobenzene, and chloroform. By optimizing the mixed ratio of EML, yellow-red OLEDs of 2-[4 (diphenylamino)phenyl]-10,10-dioxide-9H-thioxanthen-9-one (TXO-TPA) emitter in an n-/p-type host matrix of poly(N-vinylcarbazole):1,3-Bis[2-(4-tert-butylphenyl)-1,3,4-oxadiazo-5-yl]benzene (PVK:OXD-7) as a blend for the active layer were fabricated. In the best results, the device exhibited a lower turn-on voltage at around 6 V, with an external quantum efficiency (EQE) of 18.44%, current efficiency of 36.71 cd/A, and power efficiency of 14.74 Lm/W for the 8% emitter concentration. The importance of solvent for improving the electrical properties, together with organic layer thickness and host effect for the charge carrier's transport and device characteristics are also discussed.
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Project description:[This corrects the article DOI: 10.3389/fchem.2020.00750.].
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Project description:High light-quality and low color temperature are crucial to justify a comfortable healthy illumination. Wet-process enables electronic devices cost-effective fabrication feasibility. We present herein low color temperature, blue-emission hazards free organic light emitting diodes (OLEDs) with very-high light-quality indices, that with a single emissive layer spin-coated with multiple blackbody-radiation complementary dyes, namely deep-red, yellow, green and sky-blue. Specifically, an OLED with a 1,854?K color temperature showed a color rendering index (CRI) of 90 and a spectrum resemblance index (SRI) of 88, whose melatonin suppression sensitivity is only 3% relative to a reference blue light of 480?nm. Its maximum retina permissible exposure limit is 3,454?seconds at 100?lx, 11, 10 and 6 times longer and safer than the counterparts of compact fluorescent lamp (5,920?K), light emitting diode (5,500?K) and OLED (5,000?K). By incorporating a co-host, tris(4-carbazoyl-9-ylphenyl)amine (TCTA), the resulting OLED showed a current efficiency of 24.9?cd/A and an external quantum efficiency of 24.5% at 100?cd/m2. It exhibited ultra-high light quality with a CRI of 93 and an SRI of 92. These prove blue-hazard free, high quality and healthy OLED to be fabrication feasible via the easy-to-apply wet-processed single emissive layer with multiple emitters.
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Project description:Three novel small organic heterocyclic compounds: 2-(1,2-diphenyl)-1H-benzimidazole-7-tert-butylpyrene (compound A), 1,3-di(1,2-diphenyl)-1H-benzimidazole-7-tert-butylpyrene (compound B), and 1,3,6,8-tetra(1,2-diphenyl)-1H-benzimidazolepyrene (compound C) were synthesized and characterized for possible applications as blue OLED emitters. The specific molecular design targeted decreasing intermolecular aggregation and disrupting crystallinity in the solid-state, in order to reduce dye aggregation, and thus obtain efficient pure blue photo- and electroluminescence. Accordingly, the new compounds displayed reasonably high spectral purity in both solution- and solid-states with average CIE coordinates of (0.160 ± 0.005, 0.029 ± 0.009) in solution and (0.152 ± 0.007, 0.126 ± 0.005) in solid-state. These compounds showed a systematic decrease in degree of crystallinity and intermolecular aggregation due to increasing steric hindrance, as revealed using powder X-ray diffraction analysis and spectroscopic studies. An organic light-emitting diode (OLED) prototype fabricated using compound B as the non-doped emissive layer displayed an external quantum efficiency (EQE) of 0.35 (±0.04)% and luminance 100 (±6) cd m-2 at 5.5 V with an essentially pure blue electroluminescence corresponding to CIE coordinates of (0.1482, 0.1300). The highest EQE observed from this OLED prototype was 4.3 (±0.3)% at 3.5 V, and the highest luminance of 290 (±10) cd m-2 at 7.5 V. These values were found comparable to characteristics of the best pure blue OLED devices based on simple fluorescent small-molecule organic chromophores.
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Project description: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 (ΔEST). 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.
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