The Roles of Oxygen Vacancies in Boosting Oxygen Evolution Reaction over Perovskite CeFeO3−δ/NF Catalysts: An Experimental and Theoretical Investigation

In the pursuit of sustainable energy solutions amid rising global energy demands, hydrogen production through water electrolysis has become increasingly significant. However, the oxygen evolution reaction (OER), which occurs at the anodes, frequently acts as a kinetic limitation in the overall process. This study presents a novel CeFeO3−δ/NF catalyst with oxygen vacancies, which shows exceptional OER performance with an overpotential of just 310 mV at 10 mA·cm–2. Based on density functional theory (DFT) calculations, the electronic structure of the catalyst and its influence on the OER performance are analyzed. It is revealed that the substantial enhancement in CeFeO3−δ’s catalytic efficiency can be attributed to oxygen vacancies. These vacancies optimize the electronic structure and enhance the effective adsorption of intermediates, suggesting a promising approach for the development of next-generation OER catalysts.