This project reports a method to generate Pourbaix diagrams using Python and the pymatgen package.
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Jan 29, 2024 - Python
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pourbaix
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Python code and data to generate Pourbaix diagrams.
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Mar 18, 2026 - Jupyter Notebook
The provided matlab code allows the user to adjust the parameters and plot equations 3.16, 3.17, 3.18, 3.21, and 3.22 from the doctoral thesis "Surface Immobilization of α-[Fe(mcp)L2] for the Investigation of Coupled Electron Transfer Reactions" by Philipp Gaiser.
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Apr 19, 2026 - MATLAB
Pourbaix GUI R4.0 — no-code Windows desktop app (PySide6) to generate Pourbaix (E-pH / pH–potential) diagrams for corrosion, electrochemical stability, and photoelectrode screening, using the Materials Project API via pymatgen. Interactive multi-element systems, tunable plot styling, export of images (PNG/TiFF/SVG) and boundary data (CSV/XLSX/TXT).
electrochemistry corrosion pymatgen materials-project pourbaix pyside6-desktop-application ph-potential-diagram electrochemical-stability
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Aug 31, 2026 - Python
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