A Strongly Coupled 1T'-ReSe2@2H-MoSe2 van der Waals Heterostructure for Efficient Electrocatalytic Hydrogen Evolution at High Current Densities.

Abstract

Developing efficient and durable non-noble metal electrocatalysts for high current-density hydrogen evolution reactions (HER) is a pressing requirement for commercial industrial electrolyzers. In this study, a vertical 1T'-ReSe₂@2H-MoSe₂ van der Waals heterostructure was developed through interface engineering to enhance the advantages of each component and expose numerous active sites. Experimental investigations and density functional theory calculations demonstrate significant electronic coupling at the interface between 1T'-ReSe₂ and 2H-MoSe₂, with suitable Gibbs free energy for hydrogen adsorption. The 1T'-ReSe₂@2H-MoSe₂ heterostructure catalyst achieves high current density HER with low overpotentials of 191 mV to generate up to 800 mA/cm² in 0.5 M H₂SO₄, outperforming commercial 5 % Pt/C catalysts. Moreover, this catalyst exhibits rapid reaction kinetics and long-term durability, illustrating a successful approach to designing efficient heterostructure electrocatalysts for hydrogen production through interface engineering.