Surface Design Strategy of Catalysts for Water Electrolysis

Hydrogen, a new energy carrier that can replace traditional fossil fuels, is seen as one of the most promising clean energy sources. The use of renewable electricity to drive hydrogen production has very broad prospects for addressing energy and environmental problems. Therefore, many researchers favor electrolytic water due to its green and low‐cost advantages. The electrolytic water reaction comprises the oxygen evolution reaction (OER) and the hydrogen evolution reaction (HER). Understanding the OER and HER mechanisms in acidic and alkaline processes contributes to further studying the design of surface regulation of electrolytic water catalysts. The OER and HER catalysts are mainly reviewed for defects, doping, alloying, surface reconstruction, crystal surface structure, and heterostructures. Besides, recent catalysts for overall water splitting are also reviewed. Finally, this review paves the way to the rational design and synthesis of new materials for highly efficient electrocatalysis. Hydrogen production driven by renewable electricity has very broad prospects for addressing energy and environmental problems. This review provides in‐depth discussions on the mechanisms of water electrolysis and water electrolyzers. Furthermore, the surface regulation strategies of catalysts, including defects, doping, alloying, surface reconstruction, crystal surface structure, and heterostructures are presented.