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dc.contributor.authorTonnelé, Claire
dc.contributor.authorStroet, Martin
dc.contributor.authorCaron, Bertrand
dc.contributor.authorClulow, Andrew J
dc.contributor.authorNagiri, Ravi CR
dc.contributor.authorMalde, Alpeshkumar K
dc.contributor.authorBurn, Paul L
dc.contributor.authorGentle, Ian R
dc.contributor.authorMark, Alan E
dc.contributor.authorPowell, Benjamin J
dc.date.accessioned2021-07-19T06:30:45Z
dc.date.available2021-07-19T06:30:45Z
dc.date.issued2017
dc.identifier.issn1433-7851
dc.identifier.doi10.1002/anie.201610727
dc.identifier.urihttp://hdl.handle.net/10072/406135
dc.description.abstractThe effect of varying the emitter concentration on the structural properties of an archetypal phosphorescent blend consisting of 4,4′-bis(N-carbazolyl)biphenyl and tris(2-phenylpyridyl)iridium(III) has been investigated using non-equilibrium molecular dynamics (MD) simulations that mimic the process of vacuum deposition. By comparison with reflectometry measurements, we show that the simulations provide an accurate model of the average density of such films. The emitter molecules were found not to be evenly distributed throughout film, but rather they can form networks that provide charge and/or energy migration pathways, even at emitter concentrations as low as ≈5 weight percent. At slightly higher concentrations, percolated networks form that span the entire system. While such networks would give improved charge transport, they could also lead to more non-radiative pathways for the emissive state and a resultant loss of efficiency.
dc.description.peerreviewedYes
dc.languageEnglish
dc.publisherJohn Wiley & Sons
dc.relation.ispartofpagefrom8402
dc.relation.ispartofpageto8406
dc.relation.ispartofissue29
dc.relation.ispartofjournalAngewandte Chemie International Edition
dc.relation.ispartofvolume56
dc.subject.fieldofresearchChemical sciences
dc.subject.fieldofresearchcode34
dc.subject.keywordsScience & Technology
dc.subject.keywordsPhysical Sciences
dc.subject.keywordsChemistry, Multidisciplinary
dc.subject.keywordsChemistry
dc.subject.keywordsconnectivity
dc.titleElucidating the spatial arrangement of emitter molecules in organic light-emitting diode films
dc.typeJournal article
dc.type.descriptionC1 - Articles
dcterms.bibliographicCitationTonnelé, C; Stroet, M; Caron, B; Clulow, AJ; Nagiri, RCR; Malde, AK; Burn, PL; Gentle, IR; Mark, AE; Powell, BJ, Elucidating the spatial arrangement of emitter molecules in organic light-emitting diode films, Angewandte Chemie International Edition, 2017, 56 (29), pp. 8402-8406
dc.date.updated2021-07-19T06:23:35Z
gro.hasfulltextNo Full Text
gro.griffith.authorMalde, Alpesh K.


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