Nanostructures of 2d Transition Metal Dichalcogenides for Hydrogen Generation under Alkaline Conditions: From Theoretical Models to Practical Electrocatalysts

Hydrogen has been considered as the cleanest renewable energy and the ideal alternative to fossil fuels. Electrocatalytic Hydrogen Evolution Reaction (HER) via water splitting also plays an indispensable role in high-efficiency energy con- version. Compared with the well-investigated acidic HER, the relatively slow kinetics and unclear mechanism of HER in alkaline environments largely make the design of electrocatalysts a trial-and-error process, retarding the scalable development of efficient, sustainable hydrogen production. Furthermore, two-dimensional transition metal dichalcogenides (2D TMDs) have been demonstrated to be promising acidic/ alkaline HER catalysts in water electrolysis due to their outstanding atom-level thickness and surface-based properties.