The corrosion properties of ferritic stainless steel with varying Cr and Mo contents in the early stages of a simulated proton exchange membrane fuel cell environment investigated using experimental and joint calculation method HKD
Source abstract
Abstract
The initial corrosion resistance of ferritic stainless steels with various Cr and Mo levels in simulated fuel cell environments is evaluated using the HKD calculation method and electrochemical tests. HKD utilizes high-throughput DFT, KMC, and AIMD statistical coverage calculations to study passivation film development and ion/molecule adsorption behaviors, like O 2-, F -, H 2O, and OH -. Super-high Cr-containing Mo steel shows reliable corrosion resistance due to their stable structure and effective passivation film integrity at various F - concentrations and pH values. Furthermore, the impact of F - competes with O 2-, influencing film formation as pH lowers and concentration rises.
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Research context
OpenAlex topics: Hydrogen embrittlement and corrosion behaviors in metals · Corrosion Behavior and Inhibition · Fuel Cells and Related Materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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