Morphology of a self-doped conducting oligomer for green energy applications
Entity
UAM. Departamento de FarmacologíaPublisher
Royal Society of ChemistryDate
2018-05-31Citation
10.1039/c7nr04617k
Physical Chemistry Chemical Physics 20.25 (2018): 17188-17198
ISSN
1463-9076 (print); 1463-9084 (online)DOI
10.1039/c7nr04617kFunded by
This work was supported by the Troëdssons foundation (896/16), Knut and Alice Wallenberg Foundation through the project The Tail of the Sun, and the Swedish Research Council via ‘‘Research Environment grant’’ on ‘‘Disposable paper fuel cells’’ (201605990). IZ thanks the Advanced Functional Material center at Linköping University for financialEditor's Version
https://doi.org/10.1039/c8cp02902dSubjects
Oligomer; ETE-S; Polymerize in vivo; GIWAXS; MD simulations; MedicinaRights
This journal is © the Owner Societies 2018Abstract
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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Google Scholar:Franco-González, Juan Felipe
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Pavlopoulou, Eleni
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Stavrinidou, Eleni
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Gabrielsson, Roger
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Simon, Daniel T.
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Berggren, Magnus
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Zozoulenko, Igor V.
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