Two-dimensional layered MoS₂ recently demonstrates great potentials in water purification via adsorption and catalysis. The structure-catalysis relationship of MoS₂ has not been well addressed. Herein, we investigated the mechanistic difference of 1 T-2H MoS₂ homojunctions in catalytic activation of peroxymonosulfate (PMS) and peroxydisulfate (PDS) for degrading butyl paraben (BPB). PMS/1 T-2H MoS₂ attains higher performance in BPB removal compared to PDS/1 T-2H MoS₂. 1 T phase in MoS₂ primarily contributed to PMS activation to produce SO₄⁻, OH and ¹O₂, while the defects in MoS₂ coordinated the PDS activation to generate OH, ¹O₂ and O₂⁻. Nevertheless, OH-induced BPB removal was the top priority for PMS/1 T-2H MoS₂ and PDS/1 T-2H MoS₂. The different activation pathways and reactive species resulted in the varying BPB removal, by-product distributions and toxicity. This work provides new insights into the different functions of MoS₂ in persulfates activation and the guidance in rational design of oxidant-oriented MoS₂ composites for sewage purification.

二维层状MoS ₂最近通过吸附和催化在水净化中显示出巨大的潜力。MoS ₂的结构-催化关系尚未得到很好的解决。在此，我们研究了 1 T-2H MoS ₂同质结在催化活化过硫酸盐 (PMS) 和过硫酸盐 (PDS) 以降解对羟基苯甲酸丁酯 (BPB) 中的机理差异。与 PDS/1 T-2H MoS ₂相比，PMS/1 T-2H MoS ₂在 BPB 去除方面获得了更高的性能。MoS _{2 中的}1 T 相主要有助于 PMS 活化以产生 SO ₄ ^-、OH 和¹ O ₂，而 MoS 中的缺陷₂协调 PDS 激活以生成OH、¹ O ₂和 O ₂ ^-。然而，OH 诱导的 BPB 去除是 PMS/1 T-2H MoS ₂和 PDS/1 T-2H MoS ₂的首要任务。不同的活化途径和反应种类导致不同的 BPB 去除、副产物分布和毒性。这项工作为 MoS ₂在过硫酸盐活化中的不同功能提供了新的见解，并为合理设计用于污水净化的氧化型 MoS ₂复合材料提供了指导。