An electrocatalyst with anti-oxidized capability for overall water splitting

An anti-oxidized NiS2 electrocatalyst with improved catalytic activity was developed using a Fe-induced conversion strategy. X-ray photoelectron spectroscopy reveals that betatopic Ni species with high valence states are present within the Fe-NiS2 matrix and relatively less oxidized layers exist on the catalyst’s surface, indicating its greatly enhanced anti-oxidized capability. Density functional theory calculations reveal that the Ni and Fe sites on the Fe-NiS2 catalyst surface possess strong adsorption capacity toward hydroxyl ions compared with the Ni sites on NiS2. Benefiting from its unique microstructure and modulated electronic structure due to the effects of iron species, the Fe-NiS2 catalyst prepared on carbon fiber delivers a remarkably enhanced catalytic activity and superior long-life durability for overall water splitting. The present results provide an efficient strategy for the design and configuration of anti-oxidation catalysts, especially for energy storage and catalysis. [Figure not available: see fulltext.].