A Hierarchical Polyoxometalate/Pd/Mos2 Hybrid: Developing an Efficient Novel Bifunctional Catalyst for Water Splitting

Catalytic water splitting is a promising approach to produce clean hydrogen fuel from renewable energy sources. However, developing hybrid heterostructures capable of efficiently breaking down water into its constituent elements, hydrogen, and oxygen, presents a considerable challenge. In this study, a novel hierarchical POM/Pd/MoS2 hybrid heterostructure, composed of sheets of MoS2 modified with Pd nanoparticles and combined with a cobalt‐based polyoxometalate (POM), serving as bifunctional catalyst for water splitting is reported. Through a synergistic synthetic approach, MoS2, acting as a reducing agent, triggers the nucleation and growth of Pd nanoparticles, which, in turn, serve as anchoring sites for the polymerization of the cobalt‐based POM into fibers. POM/Pd/MoS2 hybrid exhibits an enhanced oxygen evolution reaction (OER) activity, comparable to the benchmark catalysts Ir/C and IrO2/C in alkaline media, being its hydrogen evolution reaction (HER) activity similar to the activated Pd/MoS2 hybrid. The intriguing electrocatalytic capability of the resulting material for producing hydrogen and oxygen through electrochemical means arises from the enhanced charge storage capacity and conductivity of MoS2, the multi‐electron transfer facilitated by the POM, and the high electrocatalytic activity of the metals. Herein, a novel hierarchical POM/Pd/MoS2 hybrid catalyst for the water splitting is developed. Chemically exfoliated MoS2 is decorated with Pd nanoparticles triggering the growth of a cobalt‐based polyoxometalate as elongated fibers. The resulting synergistic electrocatalyst benefiting from MoS2’s conductivity, POM's multi‐electron transfer, and metal catalysts' high activity, enabling efficient hydrogen and oxygen production.