MnS–BaS Heterostructures as Effective Catalysts for Oxygen Reduction Reaction

The inadequate electrical conductivity of metal sulfides, along with their tendency to agglomerate, has hindered their use in energy storage and catalysis. The construction of a heterojunction can ameliorate these deficiencies to some extent. In this paper, MnS–BaS heterojunction catalysts were prepared by a hydrothermal method, which is a simple and inexpensive process. The MnS–BaS heterojunction catalysts exhibited superior performance owing to the strong synergistic interaction between MnS and BaS. Density functional theory (DFT) calculations reveal strong interactions at the heterojunction interface and significant electron transfer between MnS and BaS, which further modulates the electronic structure of Mn. The elevation of the center of the d-band enhances the adsorption of oxygen and oxygen-containing intermediates on the catalyst, thus promoting the oxygen reduction reaction (ORR). The practical application of MnS–BaS catalysts was tested by assembling zinc–air batteries. This study provides a rational strategy for designing transition metal catalysts that are efficient and low cost.