Unlocking Hydrogen Evolution: Deciphering Structure-Activity Links in Two-Dimensional Molybdenum Dichalcogenides for Enhanced Electrochemical Catalysis

Hydrogen Evolution Reaction (HER) is vital for sustainable hydrogen generation, where two-dimensional molybdenum dichalcogenide (MoX
2
) layers are promising electrocatalysts due to their vast surface area and exceptional conductivity. However, the relationship between their mechanisms in HER electrocatalysis and HER performance (including activity and stability) remains complex. This research focuses on exploring this relationship by examining MoX
2
fundamentals and interconnected similarities. Three key parameters—MoX
2
species and reagent (precursor & reductant) ratios—are comprehensively discussed on how to optimize the HER performance. The effects of altered conditions on the structure-activity interplay are highlighted. Our findings offer insights into controlling MoX
2
catalyst synthesis and modifications for enhanced performance in hydrogen evolution.