articleJournal of the American Chemical SocietyJan 13, 2025Closed access

Identifying the Bifunctional Mechanism in Alkaline Water Electrolysis by Lewis Pairs at the Single-Atom Scale

National University of Singapore · Université Bourgogne Franche-Comté · +3 more institutions

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Abstract

The bifunctional mechanism, involving multiactive compositions to simultaneously dissociate water molecules and optimize intermediate adsorption, has been widely used in the design of catalysts to boost water electrolysis for sustainable hydrogen energy production but remains debatable due to difficulties in accurately identifying the reaction process. Here, we proposed the concept of well-defined Lewis pairs in single-atom catalysts, with a unique acid–base nature, to comprehensively understand the exact role of multiactive compositions in an alkaline hydrogen evolution reaction. By facilely adjusting active moieties, the induced synergistic effect between Lewis pairs (M–P/S/Cr pairs, M = Ru, Ir, Pt) can…

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