Show simple item record

Files in this item

Thumbnail

Item metadata

dc.contributor.authorDenis, Jean-Christophe
dc.contributor.authorRuseckas, Arvydas
dc.contributor.authorHedley, Gordon J.
dc.contributor.authorMatheson, Andrew B.
dc.contributor.authorPaterson, Martin J.
dc.contributor.authorTurnbull, Graham A.
dc.contributor.authorSamuel, Ifor D. W.
dc.contributor.authorGalbraith, Ian
dc.date.accessioned2016-08-25T14:30:12Z
dc.date.available2016-08-25T14:30:12Z
dc.date.issued2016-08-21
dc.identifier243626348
dc.identifierdc4dec36-921b-4f87-9661-169bbc6f5a04
dc.identifier84981287927
dc.identifier000381418000104
dc.identifier.citationDenis , J-C , Ruseckas , A , Hedley , G J , Matheson , A B , Paterson , M J , Turnbull , G A , Samuel , I D W & Galbraith , I 2016 , ' Self-trapping and excited state absorption in fluorene homo-polymer and copolymers with benzothiadiazole and tri-phenylamine ' , Physical Chemistry Chemical Physics , vol. 18 , no. 31 , pp. 21937-21948 . https://doi.org/10.1039/C6CP02059Cen
dc.identifier.issn1463-9076
dc.identifier.otherBibtex: urn:6d87003573142052ea6a1899022ad5e7
dc.identifier.otherORCID: /0000-0002-2132-7091/work/31037442
dc.identifier.otherORCID: /0000-0001-9114-3522/work/32543055
dc.identifier.urihttps://hdl.handle.net/10023/9375
dc.descriptionWe thank the EPSRC [EP/J009318/1 and EP/J009016/1] for funding. MJP thanks the European Research Council (ERC) for funding under the European Union’s Seventh Framework Programme (FP7/2007-2013)/ERC Grant No. 258990.en
dc.description.abstractExcited state absorption (ESA) is studied using time-dependent density functional theory and compared with experiments performed in dilute solutions. The molecules investigated are a fluorene pentamer, polyfluorene F8, the alternating F8 copolymer with benzothiadiazole F8BT, and two blue-emitting random copolymers F8PFB and F8TFB. Calculated and measured spectra show qualitatively comparable results. The ESA cross-section of co-polymers at its maximum is about three times lower than that of F8. The ESA spectra are found to change little upon structural relaxation of the excited state, or change in the order of sub-units in a co-polymer, for all studied molecules. In all these molecules, the strongest ESA transition is found to arise from the same electronic process, exhibiting a reversal of the charge parity. In addition, F8PFB and F8TFB are found to possess almost identical electronic behaviour.
dc.format.extent12
dc.format.extent3930277
dc.language.isoeng
dc.relation.ispartofPhysical Chemistry Chemical Physicsen
dc.subjectQC Physicsen
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subject.lccQCen
dc.subject.lccQDen
dc.titleSelf-trapping and excited state absorption in fluorene homo-polymer and copolymers with benzothiadiazole and tri-phenylamineen
dc.typeJournal articleen
dc.contributor.sponsorEPSRCen
dc.contributor.sponsorEPSRCen
dc.contributor.sponsorEuropean Research Councilen
dc.contributor.institutionUniversity of St Andrews. School of Physics and Astronomyen
dc.contributor.institutionUniversity of St Andrews. Organic Semiconductor Centreen
dc.contributor.institutionUniversity of St Andrews. Condensed Matter Physicsen
dc.identifier.doi10.1039/C6CP02059C
dc.description.statusPeer revieweden
dc.identifier.grantnumberN/Aen
dc.identifier.grantnumberep/l017008/1en
dc.identifier.grantnumberen


This item appears in the following Collection(s)

Show simple item record