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Universal Algorithm for Simulating and Evaluating Cyclic Voltammetry at Macroporous Electrodes by Considering Random Arrays of Microelectrodes

Title data

Tichter, Tim ; Schneider, Jonathan ; Andrae, Dirk ; Gebhard, Marcus ; Roth, Christina:
Universal Algorithm for Simulating and Evaluating Cyclic Voltammetry at Macroporous Electrodes by Considering Random Arrays of Microelectrodes.
In: ChemPhysChem. Vol. 21 (2020) Issue 5 . - pp. 428-441.
ISSN 1439-4235
DOI: https://doi.org/10.1002/cphc.201901113

Abstract in another language

An algorithm for the simulation and evaluation of cyclic voltammetry (CV) at macroporous electrodes such as felts, foams, and layered structures is presented. By considering 1D, 2D, and 3D arrays of electrode sheets, cylindrical microelectrodes, hollow‐cylindrical microelectrodes, and hollow‐spherical microelectrodes the internal diffusion domains of the macroporous structures are approximated. A universal algorithm providing the time‐dependent surface concentrations of the electrochemically active species, required for simulating cyclic voltammetry responses of the individual planar, cylindrical, and spherical microelectrodes, is presented as well. An essential ingredient of the algorithm, which is based on Laplace integral transformation techniques, is the use of a modified Talbot contour for the inverse Laplace transformation. It is demonstrated that first‐order homogeneous chemical kinetics preceding and/or following the electrochemical reaction and electrochemically active species with non‐equal diffusion coefficients can be included in all diffusion models as well. The proposed theory is supported by experimental data acquired for a reference reaction, the oxidation of [Fe(CN)6]4− at platinum electrodes as well as for a technically relevant reaction, the oxidation of VO2+ at carbon felt electrodes. Based on our calculation strategy, we provide a powerful open source tool for simulating and evaluating CV data implemented into a Python graphical user interface (GUI).

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Engineering Science > Chair Electrochemical Process Engineering > Chair Electrochemical Process Engineering - Univ.-Prof. Dr. Christina Roth
Result of work at the UBT: No
DDC Subjects: 500 Science > 540 Chemistry
600 Technology, medicine, applied sciences > 620 Engineering
Date Deposited: 22 Apr 2021 07:09
Last Modified: 22 Apr 2021 07:09
URI: https://eref.uni-bayreuth.de/id/eprint/64861