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Directing the Aggregation of Native Polythiophene during in Situ Polymerization

Title data

Lebert, Jenny ; Kratzer, Eva M. ; Bourdick, Axel ; Coric, Mihael ; Gekle, Stephan ; Herzig, Eva M.:
Directing the Aggregation of Native Polythiophene during in Situ Polymerization.
In: ACS Omega. Vol. 3 (2018) Issue 6 . - pp. 6388-6394.
ISSN 2470-1343
DOI: https://doi.org/10.1021/acsomega.8b00684

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Abstract in another language

The performance of semiconducting polymers strongly depends on their intra- and intermolecular electronic interactions. Therefore, the morphology and particularly crystallinity and crystal structure play a crucial role in enabling a sufficient overlap between the orbitals of neighboring polymers. A new solution-based in situ polymerization for the fabrication of native polythiophene thin films is presented, which exploits the film formation process to influence the polymer crystal structure in the resulting thin films. The synthesis of the insoluble polythiophene is based on an oxidative reaction in which the oxidizing agent, iron(III) p-toluenesulfonate (FeTos), initially oxidizes the monomers to enable the polymer chain growth and secondly the final polymers, thereby chemically doping the polythiophene. To exploit the fact that the doped polythiophene has a different crystal packing structure compared to the undoped polythiophene, we investigate the structural effect of this inherent doping process by varying the amounts of FeTos in the reaction mixture, creating polythiophene thin films with different degrees of doping. The structural investigation performed by means of grazing incidence wide-angle X-ray scattering (GIWAXS) suggests that the strongly doped polymer chains aggregate in a π-stacked manner in the film formation process. Moreover, this π-stacking can be maintained after the removal of the dopant molecules. GIWAXS measurements, molecular dynamics simulations, and spectroscopic analysis suggest the presence of polythiophene in a novel and stable crystal structure with an enhanced intermolecular interaction.

Further data

Item Type: Article in a journal
Refereed: Yes
Keywords: Native Polythiophene; in Situ Polymerization
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Juniorprofessur Experimentalphysik VII - Dynamik und Strukturbildung
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Juniorprofessur Experimentalphysik VII - Dynamik und Strukturbildung > Juniorprofessur Experimentalphysik VII - Dynamik und Strukturbildung - Juniorprof. Dr. Eva Maria Herzig
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Result of work at the UBT: No
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 29 Jun 2018 06:47
Last Modified: 05 Mar 2019 09:50
URI: https://eref.uni-bayreuth.de/id/eprint/44761