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Spectroelectrochemistry and Nature of Charge Carriers in Self-Doped Conducting Polymer
Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.
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2017 (English)In: Advanced Electronic Materials, ISSN 2199-160X, Vol. 3, no 8, 1700096Article in journal (Refereed) Published
Abstract [en]

A recently developed water-soluble self-doped sodium salt of bis[3,4-ethylenedioxythiophene] 3thiophene butyric acid (ETE-S) is electropolymerized and characterized by means of spectroelectrochemistry, electron paramagnetic resonance spectroscopy, and cyclic voltammetry, combined with the density functional theory (DFT) and time-dependent DFT calculations. The focus of the studies is to underline the nature of the charge carriers when the electrochemically polymerized ETE-S films undergo a reversible transition from reduced to electrically conductive oxidized states. Spectroelectrochemistry shows clear distinctions between absorption features from reduced and charged species. In the reduced state, the absorption spectrum of ETE-S electropolymerized film shows a peak that is attributed to HOMO. LUMO transition. As the oxidation level increases, this peak diminishes and the absorption of the film is dominated by spinless bipolaronic states with some admixture of polaronic states possessing a magnetic momentum. For fully oxidized samples, the bipolaronic states fully dominate, and the features in the absorption spectra are related to the drastic changes of the band structure, exhibiting a strong decrease of the band gap when a polymeric film undergoes oxidation.

Place, publisher, year, edition, pages
Wiley-VCH Verlagsgesellschaft, 2017. Vol. 3, no 8, 1700096
Keyword [en]
bipolarons; polarons; self-doped conducting polymers; spectroelectrochemistry
National Category
Other Materials Engineering
Identifiers
URN: urn:nbn:se:liu:diva-140056DOI: 10.1002/aelm.201700096ISI: 000407317700015OAI: oai:DiVA.org:liu-140056DiVA: diva2:1136605
Note

Funding Agencies|The Swedish Energy Agency [38332-1]; Norrkopings fond for Forskning och Utveckling, Carl Tryggers Stiftelse for Vetenskaplig Forskning [CTS: 13527]; CeNano (Linkoping University); Knut and Alice Wallenberg foundation (Tail of the Sun); Swedish Foundation for Strategic Research (SSF); Advanced Functional Material SFO-center at the Linkoping University (Faculty Grant SFO-Mat-LiU) [2009-00971]; Marie Sklodowska Curie Individual Fellowship (MSCA-IF-EF-ST); Marie Sklodowska Curie Individual Fellowship (Trans-Plant); Marie Sklodowska Curie Individual Fellowship [702641]

Available from: 2017-08-28 Created: 2017-08-28 Last updated: 2017-11-22
In thesis
1. Ionic and electronic transport in electrochemical and polymer based systems
Open this publication in new window or tab >>Ionic and electronic transport in electrochemical and polymer based systems
2017 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Electrochemical systems, which rely on coupled phenomena of the chemical change and electricity, have been utilized for development an interface between biological systems and conventional electronics.  The development and detailed understanding of the operation mechanism of such interfaces have a great importance to many fields within life science and conventional electronics. Conducting polymer materials are extensively used as a building block in various applications due to their ability to transduce chemical signal to electrical one and vice versa. The mechanism of the coupling between the mass and charge transfer in electrochemical systems, and particularly in conductive polymer based system, is highly complex and depends on various physical and chemical properties of the materials composing the system of interest.

The aims of this thesis have been to study electrochemical systems including conductive polymer based systems and provide knowledge for future development of the devices, which can operate with both chemical and electrical signals. Within the thesis, we studied the operation mechanism of ion bipolar junction transistor (IBJT), which have been previously utilized to modulate delivery of charged molecules. We analysed the different operation modes of IBJT and transition between them on the basis of detailed concentration and potential profiles provided by the model.

We also performed investigation of capacitive charging in conductive PEDOT:PSS polymer electrode. We demonstrated that capacitive charging of PEDOT:PSS electrode at the cyclic voltammetry, can be understood within a modified Nernst-Planck-Poisson formalism for two phase system in terms of the coupled ion-electron diffusion and migration without invoking the assumption of any redox reactions.

Further, we studied electronic structure and optical properties of a self-doped p-type conducting polymer, which can polymerize itself along the stem of the plants. We performed ab initio calculations for this system in undoped, polaron and bipolaron electronic states. Comparison with experimental data confirmed the formation of undoped or bipolaron states in polymer film depending on applied biases.

Finally, we performed simulation of the reduction-oxidation reaction at microband array electrodes. We showed that faradaic current density at microband array electrodes increases due to non-linear mass transport on the microscale compared to the corresponding macroscale systems.  The studied microband array electrode was used for developing a laccase-based microband biosensor. The biosensor revealed improved analytical performance, and was utilized for in situ phenol detection.

Place, publisher, year, edition, pages
Linköping: Linköping University Electronic Press, 2017. 49 p.
Series
Linköping Studies in Science and Technology. Dissertations, ISSN 0345-7524 ; 1841
Keyword
Modeling, Charge transport, Charge carriers Electrochemical systems, Polymer, PEDOT:PSS, Supercapacitance, Cyclic voltammetry, double layers, Nernst-Planck-Poisson, DFT, TDDFT, Ion Bipolar Junction Transistor, ETE-S
National Category
Materials Chemistry Condensed Matter Physics Inorganic Chemistry Textile, Rubber and Polymeric Materials
Identifiers
urn:nbn:se:liu:diva-135429 (URN)10.3384/diss.diva-1082793 (DOI)9789176855485 (ISBN)
Public defence
2017-04-25, K3, Kåkenhus, Campus Norrköping, Norrköping, 10:15 (English)
Opponent
Supervisors
Available from: 2017-03-24 Created: 2017-03-17 Last updated: 2017-08-30Bibliographically approved

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The full text will be freely available from 2018-06-06 12:11
Available from 2018-06-06 12:11

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