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Crossed 2D versus Slipped 1D π-Stacking in Polymorphs of Crystalline Organic Thin Films: Impact on the Electronic and Optical Response

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dc.contributor.affiliation"Department for Physical Chemistry, Faculty of Chemistry, University of Valencia, Avenida Dr. Moliner 50, Burjassot, Valencia 46100, Spain"," Elettra-Sincrotrone Trieste, S.S. 14 Km 163.5 in Area Science Park Basovizza, Trieste, 34149, Italy"," Institute of Solid State Physics, Graz University of Technology, Graz, 8010, Austria"," Madrid Institute for Advanced Studies, IMDEA Nanoscience, Calle Fararday 9, Campus Cantoblanco, Madrid, 28049, Spain"," Center for Supramolecular Optoelectronic Materials, Department of Materials Science and Engineering, Seoul National University, Seoul, 08826, South Korea"," Technical Research Centre, School of Applied and Interdisciplinary Sciences, Indian Association for the Cultivation of Science, Kolkata, West Bengal 700032, India"," Laboratory for Chemistry of Novel Materials, Université de Mons, Place du Parc 20, Mons, 7000, Belgium"," Theoretical and Structural Physical Chemistry Unit, Namur Institute of Structured Matter, University of Namur, Rue de Bruxelles, 61, Namur, 5000, Belgium"en
dc.contributor.affiliation000000041762408X
dc.contributor.authorAliaga-Gosalvez M.J.
dc.contributor.authorDemitri N.
dc.contributor.authorDohr M.
dc.contributor.authorRoldao J.C.
dc.contributor.authorPark S.K.
dc.contributor.authorOh S.
dc.contributor.authorVarghese S.
dc.contributor.authorPark S.Y.
dc.contributor.authorOlivier Y.
dc.contributor.authorMilián-Medina B.
dc.contributor.authorResel R.
dc.contributor.authorGierschner, Johannes
dc.date.accessioned2020-12-04T16:43:49Z
dc.date.available2020-12-04T16:43:49Z
dc.date.issued2019
dc.identifier.doi10.1002/adom.201900749en
dc.identifier.urihttp://hdl.handle.net/20.500.12614/1723
dc.issue.number1900749en
dc.journal.titleAdvanced Optical Materialsen
dc.language.isoenen
dc.relation.projectIDTEMPThe work in Madrid and Valencia was supported by the Spanish Ministerio de Economía y Competitividad (MINECO-FEDER projects CTQ2014-58801 and CTQ2017-87054); the work in Madrid was further supported by the “Severo Ochoa” program for Centers of Excellence in R&D of the MINECO (SEV-2016-0686) and by the Campus of International Excellence (CEI) UAM+CSIC. The authors thank Michael Wykes, Cambridge, for technical support in the QM/MM calculations, and Fabrizio Santoro, CNR Pisa, for assistance with the FCClasses calculations. M.J.A.G thanks Benoit Sklenard, CEA Leti, for fruitful discussions. The work at Seoul National University was supported in parts by the Creative Research Initiative Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT & Future Planning (MSIP; Grant No. 2009-0081571[RIAM0417-20150013]) and by the Basic Science Research Program through the NRF funded by the Ministry of Science, ICT and Future Planning (Grant No. 2017R1E1A1A01075372). The large scale facility Elettra, Trieste, Italy, provided synchrotron radiation for single crystal diffraction experiments at the beamline XRD1. The work in Mons was supported by the European Union's Horizon 2020 research and innovation program under Grant Agreement No. 646176 (EXTMOS project). Computational resources were 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.
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 España*
dc.rights.accessRightsopen accessen
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/*
dc.titleCrossed 2D versus Slipped 1D π-Stacking in Polymorphs of Crystalline Organic Thin Films: Impact on the Electronic and Optical Responseen
dc.typeresearch articleen
dc.volume.number7en
dspace.entity.typePublication

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