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Enhancing thermally activated delayed fluorescence by fine-tuning the dendron donor strength
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dc.contributor.author | Duda, Eimantas | |
dc.contributor.author | Hall, David | |
dc.contributor.author | Bagnich, Sergey | |
dc.contributor.author | Carpenter-Warren, Cameron Lewis | |
dc.contributor.author | Saxena, Rishabh | |
dc.contributor.author | Wong, Michael Y. | |
dc.contributor.author | Cordes, David Bradford | |
dc.contributor.author | Slawin, Alexandra Martha Zoya | |
dc.contributor.author | Beljonne, David | |
dc.contributor.author | Olivier, Yoann | |
dc.contributor.author | Zysman-Colman, Eli | |
dc.contributor.author | Köhler, Anna | |
dc.date.accessioned | 2023-01-07T00:37:54Z | |
dc.date.available | 2023-01-07T00:37:54Z | |
dc.date.issued | 2022-01-20 | |
dc.identifier | 276205082 | |
dc.identifier | faff762c-22e4-4e30-8ec6-f6332e3476bb | |
dc.identifier | 85123381236 | |
dc.identifier.citation | Duda , E , Hall , D , Bagnich , S , Carpenter-Warren , C L , Saxena , R , Wong , M Y , Cordes , D B , Slawin , A M Z , Beljonne , D , Olivier , Y , Zysman-Colman , E & Köhler , A 2022 , ' Enhancing thermally activated delayed fluorescence by fine-tuning the dendron donor strength ' , Journal of Physical Chemistry B , vol. 126 , no. 2 , pp. 552-562 . https://doi.org/10.33774/chemrxiv-2021-z10sw , https://doi.org/10.1021/acs.jpcb.1c05749 | en |
dc.identifier.issn | 1520-6106 | |
dc.identifier.other | ORCID: /0000-0002-9527-6418/work/106397324 | |
dc.identifier.other | ORCID: /0000-0002-5366-9168/work/106397342 | |
dc.identifier.other | ORCID: /0000-0001-7183-6022/work/106397580 | |
dc.identifier.uri | https://hdl.handle.net/10023/26709 | |
dc.description | Funding: This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 812872 (TADFlife). SB acknowledges support from the German Science Foundation (392306670/HU2362). The St Andrews team would also like to thank the Leverhulme Trust (RPG-2016-047) and EPSRC (EP/P010482/1) for financial support. 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. DB is a FNRS Research Director. Y.O. acknowledges funding from the FRS-FNRS under the grant F.4534.21 (MIS-IMAGINE). | en |
dc.description.abstract | Thermally activated delayed fluorescence (TADF) relies on a small energy gap between the emissive singlet and the non-emissive triplet state, obtained by reducing the wavefunction overlap between donor and acceptor moieties. Efficient emission, however, requires maintaining a good oscillator strength, which is itself based on sufficient overlap of the wavefunctions between donor and acceptor moieties. We demonstrate an approach to subtly fine-tune the required wavefunction overlap by employing donor-dendrons of changing functionality. We use a carbazolyl-phthalonitrile based donor-acceptor core, 2CzPN , as a reference emitter, and progressively localize the hole density through substitution at the 3,6-positions of the carbazole donors ( Cz ) with further carbazole, (4-tert-butylphenyl)amine ( tBuDPA ) and phenoxazine ( PXZ ). Using detailed photoluminescence studies, complemented with Density Functional Theory (DFT) calculations, we show that this approach permits a gradual decrease of the singlet-triplet gap, ΔEST, from 300 meV to around 10 meV in toluene, yet we also demonstrate why a small ΔEST alone is not enough. While sufficient oscillator strength is maintained with the Cz- and tBuDPA-based donor dendrons, this is not the case for the PXZ-based donor dendron, where the wavefunction overlap is reduced too strongly. Overall, we find the donor-dendron extension approach allows successful fine-tuning of the emitter photoluminescence properties. | |
dc.format.extent | 11 | |
dc.format.extent | 1506146 | |
dc.language.iso | eng | |
dc.relation.ispartof | Journal of Physical Chemistry B | en |
dc.subject | QD Chemistry | en |
dc.subject | DAS | en |
dc.subject | MCC | en |
dc.subject.lcc | QD | en |
dc.title | Enhancing thermally activated delayed fluorescence by fine-tuning the dendron donor strength | en |
dc.type | Journal article | en |
dc.contributor.sponsor | European Commission | en |
dc.contributor.sponsor | The Leverhulme Trust | en |
dc.contributor.sponsor | EPSRC | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.contributor.institution | University of St Andrews. Organic Semiconductor Centre | en |
dc.contributor.institution | University of St Andrews. EaSTCHEM | en |
dc.identifier.doi | 10.33774/chemrxiv-2021-z10sw | |
dc.description.status | Peer reviewed | en |
dc.date.embargoedUntil | 2023-01-07 | |
dc.identifier.grantnumber | 812872 | en |
dc.identifier.grantnumber | RPG-2016-047 | en |
dc.identifier.grantnumber | EP/P010482/1 | en |
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