Achieving superior oxygen evolution performance on multi-cation boride catalysts

Key Points

• The aim is to improve oxygen evolution reaction (OER) performance using multi-cation boride catalysts.
• Explored the role of FeCoNi boride composition in OER activity.
• Analyzed intermediate adsorption and desorption dynamics across cation sites.
• Studied atomic migration mechanisms to achieve a shifting catalyzing center.
• (FeCoNi)B exhibits significantly improved OER activity due to optimized intermediate management.
• Balance of adsorption on higher d-band center cations and desorption on lower ones enhances efficiency.
• Atomic migration contributes to an effective catalyzing process.