Dual<i>versus</i>normal TADF of pyridines ornamented with multiple donor moieties and their performance in OLEDs

Arsenyan, Pavel; Vı̄gante, Brigita; Leitonas, Karolis; Volyniuk, Dmytro; Andrulevičienė, Viktorija; Skhirtladze, Levani; Belyakov, Sergey; Gražulevičius, Juozas V.

doi:10.1039/d0tc05745b

Cited by 11 publications

(14 citation statements)

References 19 publications

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“…It should be noted that the shapes of PL decay curves of 5a and 5c are similar to PL decay curves of conventional TADF emitters. 30 , 64 They have the components of both prompt and delayed fluorescence. Meanwhile, the shapes of PL decay curves of 5b are very similar to those of sub-microsecond TADF emitters.…”

Section: Results and Discussionmentioning

confidence: 99%

Exciplex-Forming Systems of Physically Mixed and Covalently Bonded Benzoyl-1H-1,2,3-Triazole and Carbazole Moieties for Solution-Processed White OLEDs

et al. 2022

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Using the newly designed exciplex-forming 1,2,3-triazole-based acceptors with fast and efficient singlet → triplet intersystem crossing (ISC) processes, carbazole and benzoyl-1 H -1,2,3-triazole derivatives were synthesized by Dimroth-type 1,2,3-triazole ring formation and Ullmann–Goldberg C–N coupling reactions. Due to the exciplex formation between covalently bonded electron-donating (carbazole) and 1,2,3-triazole-based electron-accepting moieties with small singlet-triplet splitting (0.07–0.13 eV), the compounds exhibited ISC-assisted bluish–green thermally activated delayed fluorescence. The compounds were characterized by high triplet energy levels ranging from 2.93 to 2.98 eV. The most efficient exciplex-type thermally activated delayed fluorescence was observed for ortho-substituted carbazole-benzoyl-1 H -1,2,3-triazole which was selected as a host in the structure of efficient solution-processed white light-emitting diodes. The best device exhibited a maximum power efficiency of 10.7 lm/W, current efficiency of 18.4 cd/A, and quantum efficiency of 7.1%. This device also showed the highest brightness exceeding 10 thousand cd/m 2 . Usage of the exciplex-forming host allowed us to achieve a low turn-on voltage of 3.6 V. High-quality white electroluminescence was obtained with the close to nature white color coordinates (0.31, 0.34) and a color rendering index of 92.

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Section: Results and Discussionmentioning

confidence: 99%

Exciplex-Forming Systems of Physically Mixed and Covalently Bonded Benzoyl-1H-1,2,3-Triazole and Carbazole Moieties for Solution-Processed White OLEDs

et al. 2022

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“…27 dCalculated from the sample using the equation: E g = 1239.84/ λ onset .eEA CV or LUMO values were calculated from the equation: E g = LUMO–HOMO.fIonization potentials (IP PE ) of the solid samples estimated by photoelectron emission (PE) in air.gElectron affinities (EA PE ) of the solid samples calculated using the formula EA PE = IP PE − E g using optical band gaps ( E g ). 32 …”

Section: Resultsmentioning

confidence: 99%

“…gElectron affinities (EA PE ) of the solid samples calculated using the formula EA PE = IP PE − E g using optical band gaps ( E g ). 32 …”

Section: Resultsmentioning

confidence: 99%

New m-MTDATA skeleton-based hole transporting materials for multi-resonant TADF OLEDs

Bučinskas

Bezvikonnyi

Durgaryan

et al. 2022

Phys. Chem. Chem. Phys.

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“…In 2000, Guillaumont and Nakamura used TDDFT for large organic dyes and observed reasonable agreement, for most systems, with experimental absorption wavelength, spectral shift, and intensity . TDDFT is now applied to investigate excited-state phenomena like charge transfer, − singlet fission, − and thermally activated delayed fluorescence (TADF) − in π-conjugated molecules, crystals, and polymers.…”

Section: Quantum-chemical Approachesmentioning

confidence: 96%

Computational Approaches for Organic Semiconductors: From Chemical and Physical Understanding to Predicting New Materials

2023

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While a complete understanding of organic semiconductor (OSC) design principles remains elusive, computational methods�ranging from techniques based in classical and quantum mechanics to more recent data-enabled models�can complement experimental observations and provide deep physicochemical insights into OSC structure− processing−property relationships, offering new capabilities for in silico OSC discovery and design. In this Review, we trace the evolution of these computational methods and their application to OSCs, beginning with early quantum-chemical methods to investigate resonance in benzene and building to recent machine-learning (ML) techniques and their application to ever more sophisticated OSC scientific and engineering challenges. Along the way, we highlight the limitations of the methods and how sophisticated physical and mathematical frameworks have been created to overcome those limitations. We illustrate applications of these methods to a range of specific challenges in OSCs derived from π-conjugated polymers and molecules, including predicting charge-carrier transport, modeling chain conformations and bulk morphology, estimating thermomechanical properties, and describing phonons and thermal transport, to name a few. Through these examples, we demonstrate how advances in computational methods accelerate the deployment of OSCsin wide-ranging technologies, such as organic photovoltaics (OPVs), organic light-emitting diodes (OLEDs), organic thermoelectrics, organic batteries, and organic (bio)sensors. We conclude by providing an outlook for the future development of computational techniques to discover and assess the properties of highperforming OSCs with greater accuracy.

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Dualversusnormal TADF of pyridines ornamented with multiple donor moieties and their performance in OLEDs

Abstract: Procedure of post-functionalization by carbazole or phenothiazine of dicyanopyridines was developed. Pyridine ring in new pyridines exists in a twist-conformation in solid state. Green and orange thermally activated delay fluorescence...

Cited by 11 publications

References 19 publications

Exciplex-Forming Systems of Physically Mixed and Covalently Bonded Benzoyl-1H-1,2,3-Triazole and Carbazole Moieties for Solution-Processed White OLEDs

Exciplex-Forming Systems of Physically Mixed and Covalently Bonded Benzoyl-1H-1,2,3-Triazole and Carbazole Moieties for Solution-Processed White OLEDs

New m-MTDATA skeleton-based hole transporting materials for multi-resonant TADF OLEDs

Computational Approaches for Organic Semiconductors: From Chemical and Physical Understanding to Predicting New Materials

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