Revealing the Intrinsic Peroxidase?Like Catalytic Mechanism of Heterogeneous Single?Atom Co–MoS

The single?atom nanozyme is a new concept and has tremendous pros?pects to become a next?generation nanozyme. However, few studies have been carried out to elucidate the intrinsic mechanisms for both the single atoms and the supports in single?atom nanozymes. Herein, the heterogeneous single?atom Co–MoS2(SA Co–MoS2) is demonstrated to have excellent potential as a high?performance peroxidase mimic. Because of the well?defined structure of SA Co–MoS2, its peroxidase?like mecha?nism is extensively interpreted through experimental and theoretical studies. Due to the di erent adsorption energies of substrates on di erent parts of SA Co–MoS2 in the peroxidase?like reaction, SA Co favors electron transfer mechanisms, while MoS2 relies on Fenton?like reactions. The di erent catalytic pathways provide an intrinsic understanding of the remarkable performance of SA Co–MoS2. The present study not only develops a new kind of single?atom catalyst(SAC) as an elegant platform for understanding the enzyme?like activities of heterogeneous nanomaterials but also facilitates the novel application of SACs in biocatalysis.