Multiphysics Modeling of Electrochemical Impedance Spectroscopy Responses of SAM-Modified Screen-Printed Electrodes
In this work, we present a multiphysics modeling approach capable of simulating electrochemical impedance spectroscopy (EIS) responses of screen-printed electrodes (SPEs) modified with self-assembled monolayers of 11-Mercaptoundecanoic acid (MUA). Commercially available gold SPEs are electrochemical...
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| Format: | Article |
| Language: | English |
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MDPI AG
2024-01-01
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| Series: | Sensors |
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| Online Access: | https://www.mdpi.com/1424-8220/24/3/858 |
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| author | Lara Franchin Stefano Bonaldo |
| author_facet | Lara Franchin Stefano Bonaldo |
| author_sort | Lara Franchin |
| collection | DOAJ |
| description | In this work, we present a multiphysics modeling approach capable of simulating electrochemical impedance spectroscopy (EIS) responses of screen-printed electrodes (SPEs) modified with self-assembled monolayers of 11-Mercaptoundecanoic acid (MUA). Commercially available gold SPEs are electrochemically characterized through experimental cyclic voltammetry and EIS measurements with 10 mM [Fe(CN)<sub>6</sub>]<sup>3−/4−</sup> redox couple in phosphate buffered saline before and after the surface immobilization of MUA at different concentrations. We design the multiphysics model through COMSOL Multiphysics<sup>®</sup> based on the 3D geometry of the devices under test. The model includes four different physics considering the metal/solution interface electrochemical phenomena, the ion and electron potentials and currents, and the measurement set-up. The model is calibrated through a set of experimental measurements, allowing the tuning of the parameters used by the model. We use the calibrated model to simulate the EIS response of MUA-modified SPEs, comparing the results with experimental data. The simulations fit the experimental curves well, following the variation of MUA concentration on the surface from 1 µM to 100 µM. The EIS parameters, retrieved through a CPE-modified Randles’ circuit, confirm the consistency with the experimental data. Notably, the simulated surface coverage estimates and the variation of charge transfer resistance due to MUA-immobilization are well matched with their experimental counterparts, reporting only a 2% difference and being consistent with the experimental electrochemical behavior of the SPEs. |
| first_indexed | 2024-03-08T03:48:32Z |
| format | Article |
| id | doaj.art-231e12124a88438e9568d39ca0f91412 |
| institution | Directory Open Access Journal |
| issn | 1424-8220 |
| language | English |
| last_indexed | 2024-03-08T03:48:32Z |
| publishDate | 2024-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Sensors |
| spelling | doaj.art-231e12124a88438e9568d39ca0f914122024-02-09T15:22:03ZengMDPI AGSensors1424-82202024-01-0124385810.3390/s24030858Multiphysics Modeling of Electrochemical Impedance Spectroscopy Responses of SAM-Modified Screen-Printed ElectrodesLara Franchin0Stefano Bonaldo1Department of Information Engineering, University of Padova, 35131 Padova, ItalyDepartment of Information Engineering, University of Padova, 35131 Padova, ItalyIn this work, we present a multiphysics modeling approach capable of simulating electrochemical impedance spectroscopy (EIS) responses of screen-printed electrodes (SPEs) modified with self-assembled monolayers of 11-Mercaptoundecanoic acid (MUA). Commercially available gold SPEs are electrochemically characterized through experimental cyclic voltammetry and EIS measurements with 10 mM [Fe(CN)<sub>6</sub>]<sup>3−/4−</sup> redox couple in phosphate buffered saline before and after the surface immobilization of MUA at different concentrations. We design the multiphysics model through COMSOL Multiphysics<sup>®</sup> based on the 3D geometry of the devices under test. The model includes four different physics considering the metal/solution interface electrochemical phenomena, the ion and electron potentials and currents, and the measurement set-up. The model is calibrated through a set of experimental measurements, allowing the tuning of the parameters used by the model. We use the calibrated model to simulate the EIS response of MUA-modified SPEs, comparing the results with experimental data. The simulations fit the experimental curves well, following the variation of MUA concentration on the surface from 1 µM to 100 µM. The EIS parameters, retrieved through a CPE-modified Randles’ circuit, confirm the consistency with the experimental data. Notably, the simulated surface coverage estimates and the variation of charge transfer resistance due to MUA-immobilization are well matched with their experimental counterparts, reporting only a 2% difference and being consistent with the experimental electrochemical behavior of the SPEs.https://www.mdpi.com/1424-8220/24/3/858multiphysics modelself-assembled monolayerscreen-printed electrodeselectrochemical impedance spectroscopy |
| spellingShingle | Lara Franchin Stefano Bonaldo Multiphysics Modeling of Electrochemical Impedance Spectroscopy Responses of SAM-Modified Screen-Printed Electrodes Sensors multiphysics model self-assembled monolayer screen-printed electrodes electrochemical impedance spectroscopy |
| title | Multiphysics Modeling of Electrochemical Impedance Spectroscopy Responses of SAM-Modified Screen-Printed Electrodes |
| title_full | Multiphysics Modeling of Electrochemical Impedance Spectroscopy Responses of SAM-Modified Screen-Printed Electrodes |
| title_fullStr | Multiphysics Modeling of Electrochemical Impedance Spectroscopy Responses of SAM-Modified Screen-Printed Electrodes |
| title_full_unstemmed | Multiphysics Modeling of Electrochemical Impedance Spectroscopy Responses of SAM-Modified Screen-Printed Electrodes |
| title_short | Multiphysics Modeling of Electrochemical Impedance Spectroscopy Responses of SAM-Modified Screen-Printed Electrodes |
| title_sort | multiphysics modeling of electrochemical impedance spectroscopy responses of sam modified screen printed electrodes |
| topic | multiphysics model self-assembled monolayer screen-printed electrodes electrochemical impedance spectroscopy |
| url | https://www.mdpi.com/1424-8220/24/3/858 |
| work_keys_str_mv | AT larafranchin multiphysicsmodelingofelectrochemicalimpedancespectroscopyresponsesofsammodifiedscreenprintedelectrodes AT stefanobonaldo multiphysicsmodelingofelectrochemicalimpedancespectroscopyresponsesofsammodifiedscreenprintedelectrodes |