Computational Screening of Pt-Skin Oxygen Reduction Reaction Electrocatalyst Supported by Random Solid-Solution PtPdRhIrRu Alloy
High-entropy alloy (HEA) catalysts provide a vast compositional design space for optimizing the oxygen reduction reaction (ORR), but their complexity presents significant challenges for computational screening. In this work, we develop a machine-learning-assisted framework to screen Pt-skin ORR electrocatalysts support...