The characterization of water-based corrosion, geochemical, environmental and catalytic processes rely on the accurate depiction of stable phases in a water environment. The process is aided by ...

Here we offer packages to visualize and analyze high dimensional chemical potential diagram, convex hull phase diagrams, and Pourbaix diagrams. To use pymatgen, you need to generate an API key. This ...

Alculated (a) 1D and (b) 2D surface Pourbaix diagrams of FeS2 (111) considering different coverages of SV, O*, H*, and HO*. The experimental potentials at the highest faradaic efficiencies of reported ...

Theoretical calculations of Gd-NiFe oxide. a) pH dependence of the OER activities of NiFe oxide. Calculated b) 1D and c) 2D surface Pourbaix diagrams for the NiO (100) surface as a function of ...