PyBEP: An Open-Source Tool for Electrode Potential Determination from Battery OCV Measurements

This paper introduces PyBEP, a Python-based tool for the automated and optimized selection of open-circuit potential (OCP) curves and calculation of stoichiometric cycling ranges for lithium-ion battery electrodes based on open-circuit voltage (OCV) measurements. Thereby, it overcomes key challenges...

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Veröffentlicht in:Batteries (Basel) Jg. 11; H. 8; S. 295
Hauptverfasser: Pišek, Jon, Katrašnik, Tomaž, Zelič, Klemen
Format: Journal Article
Sprache:Englisch
Veröffentlicht: Basel MDPI AG 01.08.2025
Schlagworte:
Accuracy
Automation
Batteries
Chemical composition
Digitization
electrode potentials
electrode stoichiometric ranges
Electrodes
Energy industry
Energy storage
Evolutionary computation
Lithium
Lithium-ion batteries
Measurement
Methods
Numerical analysis
Open circuit voltage
open source python package
Open source software
Optimization
Simulation
Toolkits
ISSN:2313-0105, 2313-0105
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Abstract This paper introduces PyBEP, a Python-based tool for the automated and optimized selection of open-circuit potential (OCP) curves and calculation of stoichiometric cycling ranges for lithium-ion battery electrodes based on open-circuit voltage (OCV) measurements. Thereby, it overcomes key challenges in traditional approaches, which are often time-intensive and susceptible to errors due to manual curve digitization, data inconsistency, and coding complexities. The originality of PyBEP arises from the systematic integration of automated electrode chemistry identification, quality-controlled database usage, refinement of the results using incremental capacity methodology, and simultaneous optimization of multiple electrode parameters. The PyBEP database leverages high-quality, curated OCP data and employs differential evolution optimization for precise OCP determination. Validation against literature data and experimental results confirms the robustness and accuracy of PyBEP, consistently achieving precision of 10 mV or better. PyBEP also offers features like electrode chemical composition identification and quality enhancement of measurement data, further extending the battery modeling functionalities without the need for battery disassembly. PyBEP is open-source and accessible on GitHub, providing a streamlined, accurate resource for the battery research community, making PyBEP a unique and directly applicable toolkit for electrochemical researchers and engineers.
AbstractList This paper introduces PyBEP, a Python-based tool for the automated and optimized selection of open-circuit potential (OCP) curves and calculation of stoichiometric cycling ranges for lithium-ion battery electrodes based on open-circuit voltage (OCV) measurements. Thereby, it overcomes key challenges in traditional approaches, which are often time-intensive and susceptible to errors due to manual curve digitization, data inconsistency, and coding complexities. The originality of PyBEP arises from the systematic integration of automated electrode chemistry identification, quality-controlled database usage, refinement of the results using incremental capacity methodology, and simultaneous optimization of multiple electrode parameters. The PyBEP database leverages high-quality, curated OCP data and employs differential evolution optimization for precise OCP determination. Validation against literature data and experimental results confirms the robustness and accuracy of PyBEP, consistently achieving precision of 10 mV or better. PyBEP also offers features like electrode chemical composition identification and quality enhancement of measurement data, further extending the battery modeling functionalities without the need for battery disassembly. PyBEP is open-source and accessible on GitHub, providing a streamlined, accurate resource for the battery research community, making PyBEP a unique and directly applicable toolkit for electrochemical researchers and engineers.
Audience Academic
Author Pišek, Jon
Zelič, Klemen
Katrašnik, Tomaž
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  surname: Zelič
  fullname: Zelič, Klemen
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SubjectTerms Accuracy
Automation
Batteries
Chemical composition
Digitization
electrode potentials
electrode stoichiometric ranges
Electrodes
Energy industry
Energy storage
Evolutionary computation
Lithium
Lithium-ion batteries
Measurement
Methods
Numerical analysis
Open circuit voltage
open source python package
Open source software
Optimization
Simulation
Toolkits
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