Morphology of a self-doped conducting oligomer for green energy applications

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Franco Gonzalez, Juan FelipeLinköpings universitet,Fysik och elektroteknik,Tekniska fakulteten (author)

Morphology of a self-doped conducting oligomer for green energy applications

Article/chapterEnglish2017

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Royal Society of Chemistry,2017
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LIBRIS-ID:oai:DiVA.org:liu-140740
https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-140740URI
https://doi.org/10.1039/C7NR04617KDOI

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Language:English
Summary in:English

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Funding agencies: Swedish Energy Agency [38332-1]; Knut and Alice Wallenberg Foundation; Marie Sklodowska Curie Individual Fellowship (MSCA-IF-EF-ST) [702641]
A recently synthesized self-doped conducting oligomer, salt of bis[3,4-ethylenedioxythiophene]3thiophene butyric acid, ETE-S, is a novel promising material for green energy applications. Recently, it has been demonstrated that it can polymerize in vivo, in plant systems, leading to a formation of long-range conducting wires, charge storage and supercapacitive behaviour of living plants. Here we investigate the morphology of ETE-S combining the experimental characterisation using Grazing Incidence Wide Angle X-ray Scattering (GIWAXS) and atomistic molecular dynamics (MD) simulations. The GIWAXS measurements reveal a formation of small crystallites consisting of π–π stacked oligomers (with the staking distance 3.5 Å) that are further organized in h00 lamellae. These experimental results are confirmed by MD calculations, where we calculated the X-ray diffraction pattern and the radial distribution function for the distance between ETE-S chains. Our MD simulations also demonstrate the formation of the percolative paths for charge carriers that extend throughout the whole structure, despite the fact that the oligomers are short (6–9 rings) and crystallites are thin along the π–π stacking direction, consisting of only two or three π–π stacked oligomers. The existence of the percolative paths explains the previously observed high conductivity in in vivo polymerized ETE-S. We also explored the geometrical conformation of ETE-S oligomers and the bending of their aliphatic chains as a function of the oligomer lengths.

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NATURVETENSKAP Kemi hsv//swe
NATURAL SCIENCES Chemical Sciences hsv//eng

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Pavlopoulou, EleniBordeaux INP, Université de Bordeaux, CNRS, LCPO UMR 5629, 33600 Pessac, France (author)
Stavrinidou, EleniLinköpings universitet,Fysik och elektroteknik,Tekniska fakulteten(Swepub:liu)elest58 (author)
Gabrielsson, RogerLinköpings universitet,Fysik och elektroteknik,Tekniska fakulteten(Swepub:liu)rogka92 (author)
Simon, Daniel TLinköpings universitet,Fysik och elektroteknik,Tekniska fakulteten(Swepub:liu)dansi08 (author)
Berggren, MagnusLinköpings universitet,Fysik och elektroteknik,Tekniska fakulteten(Swepub:liu)magbe98 (author)
Zozoulenko, Igor VLinköpings universitet,Fysik och elektroteknik,Tekniska fakulteten(Swepub:liu)igozo50 (author)
Linköpings universitetFysik och elektroteknik (creator_code:org_t)

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In:Nanoscale: Royal Society of Chemistry9:36, s. 13717-137242040-33642040-3372

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NATURAL SCIENCES: NATURAL SCIENCES; and Chemical Science ...

Articles in the publication: Nanoscale

By the university: Linköping University

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