LaCo0.5Ni0.5O3 perovskite for efficient sulfafurazole degradation via peroxymonosulfate activation: Catalytic mechanism of interfacial structure

This study reports the introduction of nickel species into the B-site metal center of LaCoO3 perovskite, which shows high catalytic activity for sulfafurazole (SIZ) in solution by activating peroxymonosulfate (PMS). A novel bimetallic lanthanum-based perovskite (LaCo0.5Ni0.5O3) was designed by coprecipitation-calcination strategy, which can effectively degrade nearly 100% SIZ in 20 min by activating PMS. Density functional theory (DFT) calculations show that the interface structure of LaCo0.5Ni0.5O3 has higher PMS adsorption capacity and faster electron transfer efficiency. Additionally, the interface structure of the B-site metal is more likely to promote PMS activation after the introduction of Ni species. Meanwhile, the Fukui index indicates the reaction sites of the active species attacking SIZ molecules and reasonably provides the possible degradation path of SIZ. This work provides an essential reference for the subsequent exploration of the catalytic mechanism of interfacial structure of heterogeneous catalysts based on PMS activation to degrade organic pollutants.