A New Design Strategy for Efficient Thermally Activated Delayed Fluorescence Organic Emitters: From Twisted to Planar Structures

Handle URI:
http://hdl.handle.net/10754/626044
Title:
A New Design Strategy for Efficient Thermally Activated Delayed Fluorescence Organic Emitters: From Twisted to Planar Structures
Authors:
Chen, Xiankai ( 0000-0002-8580-7246 ) ; Tsuchiya, Youichi; Ishikawa, Yuma; Zhong, Cheng; Adachi, Chihaya; Bredas, Jean-Luc ( 0000-0001-7278-4471 )
Abstract:
In the traditional molecular design of thermally activated delayed fluorescence (TADF) emitters composed of electron-donor and electron-acceptor moieties, achieving a small singlet-triplet energy gap (ΔEST ) in strongly twisted structures usually translates into a small fluorescence oscillator strength, which can significantly decrease the emission quantum yield and limit efficiency in organic light-emitting diode devices. Here, based on the results of quantum-chemical calculations on TADF emitters composed of carbazole donor and 2,4,6-triphenyl-1,3,5-triazine acceptor moieties, a new strategy is proposed for the molecular design of efficient TADF emitters that combine a small ΔEST with a large fluorescence oscillator strength. Since this strategy goes beyond the traditional framework of structurally twisted, charge-transfer type emitters, importantly, it opens the way for coplanar molecules to be efficient TADF emitters. Here, a new emitter, composed of azatriangulene and diphenyltriazine moieties, is theoretically designed, which is coplanar due to intramolecular H-bonding interactions. The synthesis of this hexamethylazatriangulene-triazine (HMAT-TRZ) emitter and its preliminary photophysical characterizations point to HMAT-TRZ as a potential efficient TADF emitter.
KAUST Department:
Laboratory for Computational and Theoretical Chemistry of Advanced Materials; Physical Sciences and Engineering (PSE) Division
Citation:
Chen X-K, Tsuchiya Y, Ishikawa Y, Zhong C, Adachi C, et al. (2017) A New Design Strategy for Efficient Thermally Activated Delayed Fluorescence Organic Emitters: From Twisted to Planar Structures. Advanced Materials: 1702767. Available: http://dx.doi.org/10.1002/adma.201702767.
Publisher:
Wiley-Blackwell
Journal:
Advanced Materials
Issue Date:
17-Oct-2017
DOI:
10.1002/adma.201702767
Type:
Article
ISSN:
0935-9648
Sponsors:
X.-K.C., C.Z., and J.-L.B. thank King Abdullah University of Science and Technology (KAUST) for generous research funding as well as the KAUST IT Research Computing Team and the Supercomputing Laboratory for providing continuous assistance as well as computational and storage resources. This work was supported in part by the Exploratory Research for Advanced Technology (ERATO, JPMJER1305) from Japan Science and Technology Agency (JST).
Additional Links:
http://onlinelibrary.wiley.com/doi/10.1002/adma.201702767/abstract
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorChen, Xiankaien
dc.contributor.authorTsuchiya, Youichien
dc.contributor.authorIshikawa, Yumaen
dc.contributor.authorZhong, Chengen
dc.contributor.authorAdachi, Chihayaen
dc.contributor.authorBredas, Jean-Lucen
dc.date.accessioned2017-10-30T08:39:52Z-
dc.date.available2017-10-30T08:39:52Z-
dc.date.issued2017-10-17en
dc.identifier.citationChen X-K, Tsuchiya Y, Ishikawa Y, Zhong C, Adachi C, et al. (2017) A New Design Strategy for Efficient Thermally Activated Delayed Fluorescence Organic Emitters: From Twisted to Planar Structures. Advanced Materials: 1702767. Available: http://dx.doi.org/10.1002/adma.201702767.en
dc.identifier.issn0935-9648en
dc.identifier.doi10.1002/adma.201702767en
dc.identifier.urihttp://hdl.handle.net/10754/626044-
dc.description.abstractIn the traditional molecular design of thermally activated delayed fluorescence (TADF) emitters composed of electron-donor and electron-acceptor moieties, achieving a small singlet-triplet energy gap (ΔEST ) in strongly twisted structures usually translates into a small fluorescence oscillator strength, which can significantly decrease the emission quantum yield and limit efficiency in organic light-emitting diode devices. Here, based on the results of quantum-chemical calculations on TADF emitters composed of carbazole donor and 2,4,6-triphenyl-1,3,5-triazine acceptor moieties, a new strategy is proposed for the molecular design of efficient TADF emitters that combine a small ΔEST with a large fluorescence oscillator strength. Since this strategy goes beyond the traditional framework of structurally twisted, charge-transfer type emitters, importantly, it opens the way for coplanar molecules to be efficient TADF emitters. Here, a new emitter, composed of azatriangulene and diphenyltriazine moieties, is theoretically designed, which is coplanar due to intramolecular H-bonding interactions. The synthesis of this hexamethylazatriangulene-triazine (HMAT-TRZ) emitter and its preliminary photophysical characterizations point to HMAT-TRZ as a potential efficient TADF emitter.en
dc.description.sponsorshipX.-K.C., C.Z., and J.-L.B. thank King Abdullah University of Science and Technology (KAUST) for generous research funding as well as the KAUST IT Research Computing Team and the Supercomputing Laboratory for providing continuous assistance as well as computational and storage resources. This work was supported in part by the Exploratory Research for Advanced Technology (ERATO, JPMJER1305) from Japan Science and Technology Agency (JST).en
dc.publisherWiley-Blackwellen
dc.relation.urlhttp://onlinelibrary.wiley.com/doi/10.1002/adma.201702767/abstracten
dc.subjectMolecular designen
dc.subjectOscillator Strengthen
dc.subjectThermally Activated Delayed Fluorescenceen
dc.subjectCoplanar Structureen
dc.subjectSinglet-triplet Energy Gapen
dc.titleA New Design Strategy for Efficient Thermally Activated Delayed Fluorescence Organic Emitters: From Twisted to Planar Structuresen
dc.typeArticleen
dc.contributor.departmentLaboratory for Computational and Theoretical Chemistry of Advanced Materialsen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalAdvanced Materialsen
dc.contributor.institutionAdachi Molecular Exciton Engineering Project; Japan Science and Technology Agency (JST); ERATO; 744 Motooka Nishi Fukuoka 819-0395 Japanen
dc.contributor.institutionCenter for Organic Photonics and Electronics Research (OPERA); Kyushu University; 744 Motooka Nishi Fukuoka 819-0395 Japanen
dc.contributor.institutionInternational Institute for Carbon Neutral Energy Research (WPI-I2CNER); Kyushu University; 744 Motooka Nishi Fukuoka 819-0395 Japanen
kaust.authorChen, Xiankaien
kaust.authorZhong, Chengen
kaust.authorBredas, Jean-Lucen
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