Modeling of the cathodic and anodic polarization curves of metals and alloys at an electronic level - Journal of Materials Chemistry A (RSC Publishing)

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Accurate prediction of the cathodic and anodic polarization curves of metals and alloys remains a big challenge in the framework of density functional theory (DFT). Here, we propose a new strategy to simulate the polarization curves of Fe–Cr alloys by considering both the thermodynamics and kinetics of corro

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