ElectroKitty: A Python Tool for Modeling Electrochemical Data Including Non-Langmuir Adsorption

The use of simulation and various forms of data analysis is becoming more frequent in all areas of electrochemistry. To support this, we have created ElectroKitty, a Python package that can simulate complex reaction pathways. Since experimental data often exhibits non-idealities with adsorbed species, we have programmed ElectroKitty to incorporate such corrections. To demonstrate the versatility of our package we selected four common reaction pathways and validated it against an established simulator. We also demonstrate the Frumkin isotherm and how ElectroKitty can reproduce it. In addition, to demonstrate the more advanced features of our package, we used ElectroKitty to simulate OH adsorption on a Pt(111) surface using a straightforward model.

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Publication Details

Journal
ACS electrochemistry.
Published
2025-04-15
DOI
https://doi.org/10.1021/acselectrochem.4c00218
Citations
1
Primary Topic
Electrochemical Analysis and Applications
Type
article
Field-Weighted Citation Impact
0.52

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article

ElectroKitty: A Python Tool for Modeling Electrochemical Data Including Non-Langmuir Adsorption

Ožbej Vodeb, Pedro Farinazzo Bergamo Dias Martins, Dušan Strmčnik, Nejc Hodnik et al.
1 citations
ACS electrochemistry.
Electrochemical Analysis and Applications
0.52
article

ElectroKitty: A Python Tool for Modeling Electrochemical Data Including Non-Langmuir Adsorption

Ožbej Vodeb, Pedro Farinazzo Bergamo Dias Martins, Dušan Strmčnik, Nejc Hodnik, Miran Gaberšček
article en
1 citations

Abstract

The use of simulation and various forms of data analysis is becoming more frequent in all areas of electrochemistry. To support this, we have created ElectroKitty, a Python package that can simulate complex reaction pathways. Since experimental data often exhibits non-idealities with adsorbed species, we have programmed ElectroKitty to incorporate such corrections. To demonstrate the versatility of our package we selected four common reaction pathways and validated it against an established simulator. We also demonstrate the Frumkin isotherm and how ElectroKitty can reproduce it. In addition, to demonstrate the more advanced features of our package, we used ElectroKitty to simulate OH adsorption on a Pt(111) surface using a straightforward model.

ACS electrochemistry.Vol. 1(8)
University of Nova Gorica (SI), Jožef Stefan International Postgraduate School (SI), National Institute of Chemistry (SI)
North Atlantic Treaty Organization, Javna Agencija za Raziskovalno Dejavnost RS, European Research Council
Openalex Percentile: Top 45%
Electrochemical Analysis and Applications
0.52
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