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dc.contributor.authorHall, David
dc.contributor.authorRajamalli, Pachaiyappan
dc.contributor.authorDuda, Eimantas
dc.contributor.authorMadayanad Suresh, Subeesh
dc.contributor.authorRodella, Francesco
dc.contributor.authorBagnich, Sergey
dc.contributor.authorCarpenter-Warren, Cameron Lewis
dc.contributor.authorCordes, David Bradford
dc.contributor.authorSlawin, Alexandra Martha Zoya
dc.contributor.authorStrohriegl, Peter
dc.contributor.authorBeljonne, David
dc.contributor.authorKöhler, Anna
dc.contributor.authorOlivier, Yoann
dc.contributor.authorZysman-Colman, Eli
dc.date.accessioned2021-08-03T08:30:02Z
dc.date.available2021-08-03T08:30:02Z
dc.date.issued2021-10-18
dc.identifier274801181
dc.identifier4c15b52a-d484-42f3-949d-e144cccafec7
dc.identifier85111656464
dc.identifier000680064400001
dc.identifier.citationHall , D , Rajamalli , P , Duda , E , Madayanad Suresh , S , Rodella , F , Bagnich , S , Carpenter-Warren , C L , Cordes , D B , Slawin , A M Z , Strohriegl , P , Beljonne , D , Köhler , A , Olivier , Y & Zysman-Colman , E 2021 , ' Substitution effects on a new pyridylbenzimidazole acceptor for thermally activated delayed fluorescence and their use in organic light-emitting diodes ' , Advanced Optical Materials , vol. 9 , no. 20 , 2100846 . https://doi.org/10.1002/adom.202100846en
dc.identifier.issn2195-1071
dc.identifier.otherORCID: /0000-0002-9527-6418/work/98196630
dc.identifier.otherORCID: /0000-0002-5366-9168/work/98196685
dc.identifier.otherORCID: /0000-0001-7183-6022/work/98197043
dc.identifier.urihttps://hdl.handle.net/10023/23701
dc.descriptionThe St Andrews team would like to thank the Leverhulme Trust (RPG-2016-047) for financial support. P.R. acknowledges support from a Marie Skłodowska-Curie Individual Fellowship (MCIF; No. 749557). S.M.S acknowledges support from the Marie Skłodowska-Curie Individual Fellowship, grant 27 agreement no. 838885 (NarrowbandSSL). Computational resources have been provided by the Consortium des Équipements de Calcul Intensif (CÉCI), funded by the Fonds de la Recherche Scientifiques de Belgique (F.R.S.-FNRS) under Grant No. 2.5020.11, as well as the Tier-1 supercomputer of the Fédération Wallonie-Bruxelles, infrastructure funded by the Walloon Region under the grant agreement n1117545. We acknowledge support from the European Union’s Horizon 2020 research and innovation programme under the ITN TADFlife (GA 812872). Y.O. acknowledges funding by the Fonds de la Recherche Scientifique-FNRS under Grant n° F.4534.21 (MIS-IMAGINE). D.B. is a FNRS Research Director.en
dc.description.abstractIn this work a new acceptor is used for use in thermally activated delayed fluorescence (TADF) emitters, pyridylbenzimidazole, which when coupled with phenoxazine allows efficient TADF to occur. N-functionalization of the benzimidazole using methyl, phenyl, and tert-butyl groups permits color tuning and suppression of aggregation-caused quenching (ACQ) with minimal impact on the TADF efficiency. The functionalized derivatives support a higher doping of 7 wt% before a fall-off in photoluminescence quantum yields is observed, in contrast with the parent compound, which undergoes ACQ at doping concentrations greater than 1 wt%. Complex conformational dynamics, reflected in the time-resolved decay profile, is found. The singlet−triplet energy gap, ΔEST, is modulated by N-substituents of the benzimidazole and ranges of between 0.22 and 0.32 eV in doped films. Vacuum-deposited organic light-emitting diodes, prepared using three of the four analogs, show maximum external quantum efficiencies, EQEmax, of 23.9%, 22.2%, and 18.6% for BIm(Me)PyPXZ , BIm(Ph)PyPXZ , and BImPyPXZ , respectively, with a correlated and modest efficiency roll-off at 100 cd m–2 of 19% 13%, and 24% of the EQEmax, respectively.
dc.format.extent13
dc.format.extent6674940
dc.language.isoeng
dc.relation.ispartofAdvanced Optical Materialsen
dc.subjectDFT calculationen
dc.subjectOrganic light-emitting diodesen
dc.subjectPhotophysicsen
dc.subjectPryidylbenzimidazoleen
dc.subjectThermally activated delayed fluorescenceen
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subject.lccQDen
dc.titleSubstitution effects on a new pyridylbenzimidazole acceptor for thermally activated delayed fluorescence and their use in organic light-emitting diodesen
dc.typeJournal articleen
dc.contributor.sponsorThe Leverhulme Trusten
dc.contributor.sponsorEuropean Commissionen
dc.contributor.sponsorEuropean Commissionen
dc.contributor.sponsorEuropean Commissionen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. Organic Semiconductor Centreen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.identifier.doi10.1002/adom.202100846
dc.description.statusPeer revieweden
dc.identifier.grantnumberRPG-2016-047en
dc.identifier.grantnumber749557en
dc.identifier.grantnumber838885en
dc.identifier.grantnumber812872en


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