Electrochemical properties of al doped polypyrrole composite polymer: mott-schottky approximation and density functional theory

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dc.authorid0000-0003-0510-6640en_US
dc.contributor.authorTokgöz, S. R.
dc.contributor.authorFırat, Yunus Emre
dc.contributor.authorSafi, Z.
dc.contributor.authorPeksöz, A.
dc.date.accessioned2019-12-06T21:15:08Z
dc.date.available2019-12-06T21:15:08Z
dc.date.issued2019
dc.departmentKMÜ, Kamil Özdağ Fen Fakültesi, Fizik Bölümüen_US
dc.descriptionWOS:000466319900001en_US
dc.description.abstractPolypyrrole and Al doped polyprrole thin films were synthesized by electrochemical deposition method. FTIR spectroscopic studies confirm the formation of PPy and Al:PPy thin films. From the FESEM crosssectional images, film thickness were measured as 393.9 and 425.0 nm for the PPy and Al doped PPy thin film, respectively. Electrochemical properties of the deposited polymers are studied by Mott-Schottky analysis and electrochemical impedance spectroscopy. The calculated acceptor concentration is 5.03 x 10(18) m(-3) and 5.14 x 10(18) m(-3) for PPy and Al:PPy thin film, respectively. EIS analysis are performed to find out the effect of aluminum doping on PPy matrix. An equivalent circuit model is fitted to the EIS data to understand the behavior of coating/electrolyte interface and to determine the values of the circuit elements. Time-dependent self-consistent field and density functional theory based on CAM-B3LYP level with 6-311G(d,p) basis set are used to compute electronic properties such as HOMO and LUMO energies, ionization potential, electron affinity, electronegativity, hardness, softness. Electronic energy levels of the synthesized polymers are represented using the results of Mott-Schottky studies, and the frontier energy levels are also illustrated in this energy diagram to give more detailed explanation. (C) 2019 The Electrochemical Society.en_US
dc.description.sponsorshipUludag UniversityUludag University [KUAP(F)-2015/63]; Uludag UniversityUludag Universityen_US
dc.description.sponsorshipThis work was supported by the Research Fund of the Uludag University, Project number KUAP(F)-2015/63. The authors thank to Uludag University for financial support.en_US
dc.identifier.citationTokgöz, S. R., Fırat, Y. E., Safi, Z., Peksöz, A. (2019). Electrochemical properties of al doped polypyrrole composite polymer: mott-schottky approximation and density functional theory. Journal of the Electrochemical Society, 166, 8.
dc.identifier.doi10.1149/2.0491908jes
dc.identifier.endpageG60en_US
dc.identifier.issn0013-4651
dc.identifier.issn1945-7111
dc.identifier.issue8en_US
dc.identifier.scopus2-s2.0-85073199842
dc.identifier.scopusqualityQ1
dc.identifier.startpageG54en_US
dc.identifier.urihttps://dx.doi.org/10.1149/2.0491908jes
dc.identifier.urihttps://hdl.handle.net/11492/2455
dc.identifier.volume166en_US
dc.identifier.wosWOS:000466319900001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Sceince
dc.indekslendigikaynakScopus
dc.institutionauthorFırat, Yunus Emre
dc.language.isoen
dc.publisherElectrochemical Soc Incen_US
dc.relation.journalJournal of the Electrochemical Societyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.titleElectrochemical properties of al doped polypyrrole composite polymer: mott-schottky approximation and density functional theoryen_US
dc.typeArticle

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