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Zozoulenko, Igor
Alternative names
Publications (10 of 77) Show all publications
Modarresi, M., Franco Gonzalez, F. & Zozoulenko, I. (2018). Morphology and ion diffusion in PEDOT:Tos. A coarse grained molecular dynamics simulation. Physical Chemistry, Chemical Physics - PCCP, 20(25), 17188-17198
Open this publication in new window or tab >>Morphology and ion diffusion in PEDOT:Tos. A coarse grained molecular dynamics simulation
2018 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 20, no 25, p. 17188-17198Article in journal (Refereed) Published
Abstract [en]

A Martini coarse-grained Molecular Dynamics (MD) model for the doped conducting polymer poly(3,4-ethylenedioxythiophene) (PEDOT) is developed. The morphology of PEDOT:Tos (i.e. PEDOT doped with molecular tosylate) and its crystallization in aqueous solution for different oxidation levels were calculated using the developed method and compared with corresponding all atomistic MD simulations. The diffusion coefficients of Na+ and Cl- ions in PEDOT:Tos are studied using the developed coarse-grained MD approach. It is shown that the diffusion coefficients decrease exponentially as the hydration level is reduced. It is also predicted that the diffusion coefficients decrease when the doping level of PEDOT is increased. The observed behavior is related to the evolution of water clusters and trapping of ions around the polymer matrix as the hydration level changes. The predicted behavior of the ionic diffusion coefficients can be tested experimentally, and we believe that molecular picture of ionic diffusion in PEDOT unraveled in the present study is instrumental for the design of polymeric materials and devices for better and enhanced performance.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2018
National Category
Materials Chemistry
Identifiers
urn:nbn:se:liu:diva-149855 (URN)10.1039/c8cp02902d (DOI)000436571800033 ()29900440 (PubMedID)
Note

Funding Agencies|Troedssons foundation [896/16]; Knut and Alice Wallenberg Foundation through the project The Tail of the Sun; Swedish Research Council [201605990]; Advanced Functional Material center at Linkoping University

Available from: 2018-08-02 Created: 2018-08-02 Last updated: 2018-08-20
Sekretaryova, A., Volkov, A. V., Zozoulenko, I. V., Turner, A., Vagin, M. Y. & Eriksson, M. (2016). Total phenol analysis of weakly supported water using a laccase-based microband biosensor.. Analytica Chimica Acta, 907, 45-53
Open this publication in new window or tab >>Total phenol analysis of weakly supported water using a laccase-based microband biosensor.
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2016 (English)In: Analytica Chimica Acta, ISSN 0003-2670, E-ISSN 1873-4324, Vol. 907, p. 45-53Article in journal (Refereed) Published
Abstract [en]

The monitoring of phenolic compounds in wastewaters in a simple manner is of great importance for environmental control. Here, a novel screen printed laccase-based microband array for in situ, total phenol estimation in wastewaters and for water quality monitoring without additional sample pre-treatment is presented. Numerical simulations using the finite element method were utilized for the characterization of micro-scale graphite electrodes. Anodization followed by covalent modification was used for the electrode functionalization with laccase. The functionalization efficiency and the electrochemical performance in direct and catechol-mediated oxygen reduction were studied at the microband laccase electrodes and compared with macro-scale electrode structures. The reduction of the dimensions of the enzyme biosensor, when used under optimized conditions, led to a significant improvement in its analytical characteristics. The elaborated microsensor showed fast responses towards catechol additions to tap water – a weakly supported medium – characterized by a linear range from 0.2 to 10 μM, a sensitivity of 1.35 ± 0.4 A M−1 cm−2 and a dynamic range up to 43 μM. This enhanced laccase-based microsensor was used for water quality monitoring and its performance for total phenol analysis of wastewater samples from different stages of the cleaning process was compared to a standard method.

Place, publisher, year, edition, pages
Elsevier, 2016
Keywords
Laccase; microelectrode; microband; electrochemical modeling; total phenol analysis; wastewater
National Category
Analytical Chemistry
Identifiers
urn:nbn:se:liu:diva-123677 (URN)10.1016/j.aca.2015.12.006 (DOI)000368422900005 ()
Note

Funding agencies: Swedish research council Formas [245-2010-1062]; research centre Security Link [VINNOVA 2009-00966]; Norrkopings fond for Forskning och Utveckling; VINNOVA

Available from: 2016-01-07 Created: 2016-01-07 Last updated: 2017-12-01Bibliographically approved
Orlof, A., Shylau, A. A. & Zozoulenko, I. (2015). Electron-electron interactions in graphene field-induced quantum dots in a high magnetic field. Physical Review B. Condensed Matter and Materials Physics, 92(7), 075431
Open this publication in new window or tab >>Electron-electron interactions in graphene field-induced quantum dots in a high magnetic field
2015 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 92, no 7, p. 075431-Article in journal (Refereed) Published
Abstract [en]

We study the effect of electron-electron interaction in graphene quantum dots defined by an external electrostatic potential and a high magnetic field. To account for the electron-electron interaction, we use the Thomas-Fermi approximation and find that electron screening causes the formation of compressible strips in the potential profile and the electron density. We numerically solve the Dirac equations describing the electron dynamics in quantum dots, and we demonstrate that compressible strips lead to the appearance of plateaus in the electron energies as a function of the magnetic field. Finally, we discuss how our predictions can be observed using the Kelvin probe force microscope measurements.

Place, publisher, year, edition, pages
American Physical Society, 2015
National Category
Mathematics Electrical Engineering, Electronic Engineering, Information Engineering
Identifiers
urn:nbn:se:liu:diva-121107 (URN)10.1103/PhysRevB.92.075431 (DOI)000359859900004 ()
Note

Funding Agencies|Danish National Research Foundation [DNRF58]

Available from: 2015-09-07 Created: 2015-09-07 Last updated: 2017-12-04
Sekretareva, A., Vagin, M., Volkov, A. V., Zozoulenko, I. V., Turner, A. & Eriksson, M. (2015). Screen printed microband array based biosensor for water monitoring. In: The Frumkin Symposium: . Paper presented at The Frumkin Symposium, 21-23 October 2015, Moscow, Russia.
Open this publication in new window or tab >>Screen printed microband array based biosensor for water monitoring
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2015 (English)In: The Frumkin Symposium, 2015Conference paper, Oral presentation with published abstract (Refereed)
National Category
Biological Sciences
Identifiers
urn:nbn:se:liu:diva-123698 (URN)
Conference
The Frumkin Symposium, 21-23 October 2015, Moscow, Russia
Available from: 2016-01-08 Created: 2016-01-08 Last updated: 2017-11-03
Sekretareva, A., Vagin, M. Y., Volkov, A. V., Zozoulenko, I. V., Turner, A. P. .. & Eriksson, M. (2015). Total phenol analysis of water using a laccase-based microsensor array. In: Program of the XXIII International Symposium on Bioelectrochemistry and Bioenergetics of the Bioelectrochemical Society. 14-18 June, 2015. Malmö, Sweden: . Paper presented at The XXIII International Symposium on Bioelectrochemistry and Bioenergetics of the Bioelectrochemical Society. 14-18 June, 2015. Malmö, Sweden (pp. 155-155). Lausanne: Bioelectrochemical Society
Open this publication in new window or tab >>Total phenol analysis of water using a laccase-based microsensor array
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2015 (English)In: Program of the XXIII International Symposium on Bioelectrochemistry and Bioenergetics of the Bioelectrochemical Society. 14-18 June, 2015. Malmö, Sweden, Lausanne: Bioelectrochemical Society , 2015, p. 155-155Conference paper, Published paper (Other academic)
Abstract [en]

The monitoring of phenolic compounds in raw waters and wastewaters is of great importance for environmental control. Use of biosensors for rapid, specific and simple detection of phenolic compounds is a promising approach. A number of biosensors have been developed for phenol detection. A general drawback of previously reported biosensors is their insufficient detection limits for phenols in water samples. One way to improve the detection limit is by the use of microelectrodes.

Microband design of the microelectrodes combines convergent mass transport due to the microscale width and high output currents due to the macroscopic length. Among the various techniques available for microband electrode fabrication, we have chosen screen-printing which is a cost-effective production method.

In this study, we report on the development of a laccase-based microscale biosensor operating under a convergent diffusion regime. Screen-printing followed by simple cutting was utilized for the fabrication of graphite microbands as a platform for further covalent immobilization of laccase. Numerical simulations, utilizing the finite element method with periodic boundary conditions, were used for modeling the voltammetric response of the developed microband electrodes. Anodization followed by covalent immobilization was used for the electrode modification with laccase. Direct and mediated laccase bioelectrocatalytic oxidation of phenols was studied on macro- and microscale graphite electrodes. Significant enhancement of the analytical performance was achieved by the establishment of convergent diffusion in the microscale sensor. Finally, the developed microsensor was utilized to monitor phenolic compounds in real waste water.

Place, publisher, year, edition, pages
Lausanne: Bioelectrochemical Society, 2015
National Category
Biochemistry and Molecular Biology
Identifiers
urn:nbn:se:liu:diva-122687 (URN)
Conference
The XXIII International Symposium on Bioelectrochemistry and Bioenergetics of the Bioelectrochemical Society. 14-18 June, 2015. Malmö, Sweden
Available from: 2015-11-16 Created: 2015-11-16 Last updated: 2017-11-03Bibliographically approved
Ihnatsenka, S., Crispin, X. & Zozoulenko, I. (2015). Understanding hopping transport and thermoelectric properties of conducting polymers. Physical Review B. Condensed Matter and Materials Physics, 92(3), 035201
Open this publication in new window or tab >>Understanding hopping transport and thermoelectric properties of conducting polymers
2015 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 92, no 3, p. 035201-Article in journal (Refereed) Published
Abstract [en]

We calculate the conductivity sigma and the Seebeck coefficient S for the phonon-assisted hopping transport in conducting polymers poly(3,4-ethylenedioxythiophene) or PEDOT, experimentally studied by Bubnova et al. [J. Am. Chem. Soc. 134, 16456 (2012)]. We use the Monte Carlo technique as well as the semianalytical approach based on the transport energy concept. We demonstrate that both approaches show a good qualitative agreement for the concentration dependence of sigma and S. At the same time, we find that the semianalytical approach is not in a position to describe the temperature dependence of the conductivity. We find that both Gaussian and exponential density of states (DOS) reproduce rather well the experimental data for the concentration dependence of sigma and S giving similar fitting parameters of the theory. The obtained parameters correspond to a hopping model of localized quasiparticles extending over 2-3 monomer units with typical jumps over a distance of 3-4 units. The energetic disorder (broadening of the DOS) is estimated to be 0.1 eV. Using the Monte Carlo calculation we reproduce the activation behavior of the conductivity with the calculated activation energy close to the experimentally observed one. We find that for a low carrier concentration a number of free carriers contributing to the transport deviates strongly from the measured oxidation level. Possible reasons for this behavior are discussed. We also study the effect of the dimensionality on the charge transport by calculating the Seebeck coefficient and the conductivity for the cases of three-, two-, and one-dimensional motion.

Place, publisher, year, edition, pages
American Physical Society, 2015
National Category
Electrical Engineering, Electronic Engineering, Information Engineering
Identifiers
urn:nbn:se:liu:diva-120272 (URN)10.1103/PhysRevB.92.035201 (DOI)000357486100006 ()
Note

Funding Agencies|Energimyndigheten; European Research Council (ERC-starting-grant) [307596]; Knut and Alice Wallenberg Foundation (The Tail of the Sun)

Available from: 2015-07-24 Created: 2015-07-24 Last updated: 2017-12-04
Radchenko, T. M., Shylau, A. A. & Zozoulenko, I. (2014). Conductivity of epitaxial and CVD graphene with correlated line defects. Solid State Communications, 195, 88-94
Open this publication in new window or tab >>Conductivity of epitaxial and CVD graphene with correlated line defects
2014 (English)In: Solid State Communications, ISSN 0038-1098, E-ISSN 1879-2766, Vol. 195, p. 88-94Article in journal (Refereed) Published
Abstract [en]

Transport properties of single-layer graphene with correlated one-dimensional defects are studied theoretically using the computational model within the time-dependent real-space Kubo-Greenwood formalism. Such defects are present in epitaxial graphene, comprising atomic terraces and steps due to the substrate morphology, and in polycrystalline chemically vapor-deposited (CVD) graphene due to the grain boundaries, composed of a periodic array of dislocations, or quasi-periodic nanoripples originated from the metal substrate. The extended line defects are described by the long-range Lorentzian-type scattering potential. The dc conductivity is calculated numerically for different cases of distribution of line defects. This includes a random (uncorrelated) and a correlated distribution with a prevailing direction in the orientation of lines. The anisotropy of the conductivity along and across the line defects is revealed, which agrees with experimental measurements for epitaxial graphene grown on SiC. We performed a detailed study of the conductivity for different defect correlations, introducing the correlation angle alpha(max)-the maximum possible angle between any two lines. We find that for a given electron density, the relative enhancement of the conductivity for the case of fully correlated line defects in comparison to the case of uncorrelatecl ones is larger for a higher defect density. Finally, we, for the first time, study the conductivity of realistic samples where both extended line defects and point-like scatterers such as adatoms and charged impurities are presented.

Place, publisher, year, edition, pages
Elsevier, 2014
Keywords
Epitaxial and CVD graphene; Line and point defects; Quantum transport; Numerical simulations
National Category
Electrical Engineering, Electronic Engineering, Information Engineering
Identifiers
urn:nbn:se:liu:diva-111256 (URN)10.1016/j.ssc.2014.07.012 (DOI)000341164700019 ()
Note

Funding Agencies|Swedish Institute

Available from: 2014-10-15 Created: 2014-10-14 Last updated: 2017-12-05
Bubnova, O., Khan, Z. U., Wang, H., Braun, S., Evans, D. R., Fabretto, M., . . . Crispin, X. (2014). Corrigendum: Semi-metallic polymers. Nature Materials, 13, 662-662
Open this publication in new window or tab >>Corrigendum: Semi-metallic polymers
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2014 (English)In: Nature Materials, ISSN 1476-1122, E-ISSN 1476-4660, Vol. 13, p. 662-662Article in journal (Refereed) Published
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-113955 (URN)10.1038/nmat3981 (DOI)
Available from: 2015-02-04 Created: 2015-02-04 Last updated: 2018-08-20
Volkov, A., Tybrandt, K., Berggren, M. & Zozoulenko, I. (2014). Modeling of Charge Transport in Ion Bipolar Junction Transistors. Langmuir, 30(23), 6999-7005
Open this publication in new window or tab >>Modeling of Charge Transport in Ion Bipolar Junction Transistors
2014 (English)In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 30, no 23, p. 6999-7005Article in journal (Refereed) Published
Abstract [en]

Spatiotemporal control of the complex chemical microenvironment is of great importance to many fields within life science. One way to facilitate such control is to construct delivery circuits, comprising arrays of dispensing outlets, for ions and charged biomolecules based on ionic transistors. This allows for addressability of ionic signals, which opens up for spatiotemporally controlled delivery in a highly complex manner. One class of ionic transistors, the ion bipolar junction transistors (IBJTs), is especially attractive for these applications because these transistors are functional at physiological conditions and have been employed to modulate the delivery of neurotransmitters to regulate signaling in neuronal cells. Further, the first integrated complementary ionic circuits were recently developed on the basis of these ionic transistors. However, a detailed understanding of the device physics of these transistors is still lacking and hampers further development of components and circuits. Here, we report on the modeling of IBJTs using Poissons and Nernst-Planck equations and the finite element method. A two-dimensional model of the device is employed that successfully reproduces the main characteristics of the measurement data. On the basis of the detailed concentration and potential profiles provided by the model, the different modes of operation of the transistor are analyzed as well as the transitions between the different modes. The model correctly predicts the measured threshold voltage, which is explained in terms of membrane potentials. All in all, the results provide the basis for a detailed understanding of IBJT operation. This new knowledge is employed to discuss potential improvements of ion bipolar junction transistors in terms of miniaturization and device parameters.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2014
National Category
Electrical Engineering, Electronic Engineering, Information Engineering Physical Sciences
Identifiers
urn:nbn:se:liu:diva-109131 (URN)10.1021/la404296g (DOI)000337644200044 ()24854432 (PubMedID)
Available from: 2014-08-13 Created: 2014-08-11 Last updated: 2017-12-05Bibliographically approved
Bubnova, O., Ullah Khan, Z., Wang, H., Braun, S., Evans, D. R., Fabretto, M., . . . Crispin, X. (2014). Semi-metallic polymers. Nature Materials, 13(2), 190-194
Open this publication in new window or tab >>Semi-metallic polymers
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2014 (English)In: Nature Materials, ISSN 1476-1122, E-ISSN 1476-4660, Vol. 13, no 2, p. 190-194Article in journal (Refereed) Published
Abstract [en]

Polymers are lightweight, flexible, solution-processable materials that are promising for low-cost printed electronics as well as for mass-produced and large-area applications. Previous studies demonstrated that they can possess insulating, semiconducting or metallic properties; here we report that polymers can also be semi-metallic. Semi-metals, exemplified by bismuth, graphite and telluride alloys, have no energy bandgap and a very low density of states at the Fermi level. Furthermore, they typically have a higher Seebeck coefficient and lower thermal conductivities compared with metals, thus being suitable for thermoelectric applications. We measure the thermoelectric properties of various poly( 3,4-ethylenedioxythiophene) samples, and observe a marked increase in the Seebeck coefficient when the electrical conductivity is enhanced through molecular organization. This initiates the transition from a Fermi glass to a semi-metal. The high Seebeck value, the metallic conductivity at room temperature and the absence of unpaired electron spins makes polymer semi-metals attractive for thermoelectrics and spintronics.

Place, publisher, year, edition, pages
Nature Publishing Group, 2014
National Category
Engineering and Technology
Identifiers
urn:nbn:se:liu:diva-104644 (URN)10.1038/nmat3824 (DOI)000330182700027 ()
Available from: 2014-02-20 Created: 2014-02-20 Last updated: 2018-08-20
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