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dc.contributor.authorCalvo-Castro, Jesus
dc.contributor.authorMcHugh, Callum J.
dc.date.accessioned2018-08-16T00:11:59Z
dc.date.available2018-08-16T00:11:59Z
dc.date.issued2017-03-28
dc.identifier.citationCalvo-Castro , J & McHugh , C J 2017 , ' Exploring structure based charge transport relationships in phenyl diketopyrrolopyrrole single crystals using a 2D π–π dimer model system ' , Journal of Materials Chemistry C , vol. 5 , no. 16 , pp. 3993-3998 . https://doi.org/10.1039/C7TC00434F
dc.identifier.issn2050-7526
dc.identifier.otherORCID: /0000-0003-1031-8648/work/48087078
dc.identifier.urihttp://hdl.handle.net/2299/20371
dc.descriptionThis document is the Accepted Manuscript version of the following article: Jesus Calvo-Castro, and Callum J. McHugh, ‘Exploring structure based charge transport relationships in phenyl diketopyrrolopyrrole single crystals using a 2D π–π dimer model system’, Journal of Materials Chemistry C, Issue 16, 2017, first published 28 March 2017. The version of record is available online at DOI: http://dx.doi.org/10.1039/C7TC00434F © Royal Society of Chemistry 2017
dc.description.abstractCrystalline phenyl diketopyrrolopyrroles are often overlooked as charge transfer mediating materials in optoelectronic applications. We report an experimentally ratified two dimensional π–π model dimer system dispelling previous misconceptions regarding the potential of these materials as organic semiconductors and that will enable researchers to screen and predict charge transport potential solely on the basis of their single crystal derived π-stacking architectures. In testing our model system versus the available database of phenyl diketopyrrolopyrrole single crystal structures we reveal that these materials are characterised by intrinsically large thermal integrities and in many cases large charge transfer integrals, not solely restricted to dimeric interactions exhibiting close intermonomer arrangements and bearing low torsion of the core phenyl rings. This study will be of significant interest to the increasingly large community engaged in the quest to engineer π-conjugated organic based semiconducting devices and particularly those employing crystalline diketopyrrolopyrroles.en
dc.format.extent6
dc.format.extent1054562
dc.language.isoeng
dc.relation.ispartofJournal of Materials Chemistry C
dc.titleExploring structure based charge transport relationships in phenyl diketopyrrolopyrrole single crystals using a 2D π–π dimer model systemen
dc.contributor.institutionDepartment of Pharmacy, Pharmacology and Postgraduate Medicine
dc.contributor.institutionPsychopharmacology, Drug Misuse and Novel Psychoactive Substances Unit
dc.contributor.institutionCentre for Health Services and Clinical Research
dc.contributor.institutionSchool of Life and Medical Sciences
dc.description.statusPeer reviewed
dc.date.embargoedUntil2018-03-28
rioxxterms.versionofrecord10.1039/C7TC00434F
rioxxterms.typeJournal Article/Review
herts.preservation.rarelyaccessedtrue


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