Unraveling the electronegativity-dominated intermediate adsorption on high-entropy alloy electrocatalysts

Abstract High-entropy alloys have received considerable attention in the field of catalysis due to their exceptional properties. The electronegativity differences between mixed elements in HEA induce significant charge redistribution and create highly active Co and Ru sites with optimized energy barriers for simultaneously stabilizing OH * and H * intermediates, which greatly enhances the efficiency of water dissociation in alkaline conditions.

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• 1 However, few studies hitherto focus on the origin of their outstanding performance and the accurate identification of active centers.
• 2 Herein, we report a conceptual and experimental approach to overcome the limitations of single-element catalysts by designing a FeCoNiXRu (X: Cu, Cr, and Mn) High-entropy alloys system with various active sites that have different adsorption capacities for multiple intermediates.
• 3 The electronegativity differences between mixed elements in HEA induce significant charge redistribution and create highly active Co and Ru sites with optimized energy barriers for simultaneously stabilizing OH * and H * intermediates, which greatly enhances the efficiency of water dissociation in alkaline conditions.

This work deepens our understanding of the fundamental laws governing the universe, from subatomic particles to cosmic structures.

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