Stabilizing Ru in Multicomponent Alloy as Acidic Oxygen Evolution Catalysts with Machine Learning-Enabled Structural Insights and Screening

in 24 h of operation. The acidic OER conditions induced the formation of a thin RuIr-rich oxide shell layer with a trace amount of 3d metals, where Ru was found to be relatively stabilized near the surface of the evolved nanoparticles. The machine learning-accelerated high throughput simulation protocol was further employed to screen other potential RuIr-containing quinary alloys based on expected phase stability. This work highlights the opportunity of stabilizing Ru in a multicomponent alloy matrix with improved activity and stability.