High-density accessible Ru–Se–Ni moieties boost the hydrogen evolution reaction by optimizing H absorption

Abstract

The rising demand for sustainable hydrogen production has led to intensified research into alternative catalysts for the Hydrogen Evolution Reaction (HER). This study focuses on incorporating ruthenium (Ru) into nickel selenide (NiSe₂) to boost the electrocatalytic efficiency of the HER. Theoretical calculations suggest that Ru–Se–Ni moieties can alter the Gibbs free energy of adsorption for water molecules, thereby enhancing electrocatalytic kinetics. The experimental creation of Ru–NiSe₂ on nickel foam (Ru–NiSe₂/NF) leads to a stable 3D structure with significant electrochemical stability. The catalyst exhibits a low overpotential of 36 mV to achieve a current density of 10 mA cm⁻² and maintains long-term stability for over 60 hours. Theoretical predictions, corroborated by experimental findings, indicate that introducing a small quantity of Ru refines the electronic structure of NiSe₂. This makes Ru-doped NiSe₂ a cost-effective and efficient catalyst for the HER in alkaline environments. The study offers important insights into designing catalysts for sustainable hydrogen production via water electrolysis.