Vanadium‐Stabilized MoB Nanoparticles Enable Hydrogen Evolution at Industry‐Relevant High Current Densities

Abstract Bulk molybdenum boride electrocatalysts have emerged as as cost‐effective alternatives to platinum‐based catalysts toward the hydrogen evolution reaction (HER), particularly under harsh industrial conditions requiring high current densities. However, differences in electrode preparation methods between molybdenum borides and Pt/C thus complicate direct activity comparison. In this study, vanadium‐stabilized molybdenum monoboride (V 0.3 Mo 0.7 B) nanoparticles are synthesized and shown to outperform Pt/C at industrially relevant current densities under the same experimental conditions, achieving 1000 mA cm −2 with an overpotential of just 0.452 V compared to 0.837 V for Pt/C. Our density functional theory (DFT) calculations demonstrate that V 0.31 Mo 0.69 B exhibits improved Gibbs free energy for HER (ΔG H = ‐0.12 eV) at high hydrogen coverages (80 to 100%), showcasing its superior catalytic activity at high current densities. Stability tests demonstrate that the V 0.3 Mo 0.7 B electrode retains 97% of its performance after ≈28 h of operation at 1000 mA cm −2 , positioning it as a compelling candidate for sustainable hydrogen production.