Synergistic Interaction Between Ir‐N‐C and Ru Nanoparticles for Enhanced Activity Toward Alkaline Hydrogen Oxidation Reaction

Abstract Boosting the sluggish alkaline hydrogen oxidation reaction (HOR) kinetics with reduced amounts of noble metals is essential for the commercial applications of anion exchange membrane fuel cells. The employment of single atom embedded N‐doped carbon could remarkably increase both the catalytic efficiency and durability for various electrochemical processes when coupled with metal nanoparticles. Here, an ultrasmall Ru nanoparticle supported on an Ir‐N‐C framework (Ru/Ir‐N‐C) is prepared. Benefitting from the introduction of Ir‐N‐C substrates, the HOR activity and CO‐tolerance of the obtained Ru/Ir‐N‐C electrocatalyst are significantly enhanced. Electrochemical experiments and density functional theory calculations unveil the charge redistribution engenders modulated band structure and orbital overlapping interaction, which could provide suitable adsorption sites with optimal hydrogen binding energy and significantly strengthened hydroxyl binding energy, thereby leading to promoted reaction kinetics and CO desorption process. This work uncovers the decisive role of optimal adsorption behavior and electronic properties induced by the synergistic effect between Ir‐N‐C and Ru active centers, offering new insights into multi‐functionalized noble‐metal‐based catalysts designing.