Transition metal dichalcogenides-based electrocatalysts for green hydrogen production via water electrolysis: Design principles and modulation strategies

The development of renewable energy-powered water electrolysis technology serves as a crucial prerequisite for realizing the large-scale application of hydrogen economy. Currently, commercial catalysts for water electrolysis predominantly rely on platinum-group noble metals, whose scarcity and exorbitant costs significantly hinder practical implementation of hydrogen production through water splitting. As promising alternatives to noble metal catalysts, transition metal dichalcogenides (TMDs) have attracted considerable research attention due to their high intrinsic catalytic activity and cost-effectiveness. Nevertheless, the catalytic performance of TMDs still lags behind that of noble metal benchmarks, prompting extensive and systematic investigations into performance enhancement and catalytic mechanisms. This review comprehensively summarizes strategic approaches for optimizing the electrocatalytic performance of TMDs in water electrolysis, integrating fundamental reaction principles, rational design philosophies for electrocatalysts, and the structure-property relationships of TMDs. Finally, we provide insightful perspectives on current challenges and future research directions in this rapidly evolving field.