Novel porous hetero-phase interfacial structures based on Ni2V intermetallic and doped V as catalysts for efficient hydrogen evolution reaction

Heterogeneous and porous materials are two hotspots in enhancing the catalytic activity of the hydrogen evolution reaction. In this paper, a series of Ni–V porous cathode materials with varying ratios were successfully synthesized via powder metallurgy, encompassing different cathode compositions such as three-phase, pure Ni 2 V phase, and dual-phase Ni 2 V/V. Electrochemical experiments confirm that the Ni 2 V/V hetero-phase interface exhibits excellent integrated overpotentials and maintains good long-term stability under high currents in alkaline electrolytes. Density-functional theory calculations confirm that the introduction of monomer V optimizes the adsorption sites and enhances the adsorption capacities for water and hydrogen on Ni 2 V alone. This study provides a variety of highly active and low-cost cathode materials for alkaline hydrogen production and offers a design reference for industrial materials used in high-current-density electrolytic hydrogen evolution. • V doping into Ni 2 V intermetallic compounds can modulate the electronic structure. • Doping of V in Ni 2 V can modulate the hetero-phase interfacial adsorption sites. • Hetero-phase interfaces exhibit better HER catalytic activity. • The catalytic activity of hetero-phase structures meets stringent stability.