Vanadium-Stabilized MoB Nanoparticles for Enhanced Hydrogen Evolution at High Current Densities

Bulk molybdenum borides electrocatalysts have shown promise as cost-effective alternatives to platinum-based ones towards the hydrogen evolution reaction (HER), particularly under harsh industrial conditions requiring high current densities. However, the electrode preparation method differs from that of Pt/C thus rendering a proper activity comparison difficult. In this work, we report on the synthesis of vanadium-stabilized molybdenum monoboride (V_0.3Mo_0.7B) nanoparticles that outperform Pt/C at industrially relevant current densities under the same experimental conditions, achieving 1000 mA/cm² with an overpotential of only 0.452 V compared to 0.837 V for the commercial 20% Pt/C benchmark. Our Density Functional Theory (DFT) calculations demonstrate that V_0.31Mo_0.69B exhibits improved Gibb’s free energy for HER (ΔG_H = -0.12 eV) under high hydrogen coverages (80 to 100 %), showcasing its superior catalytic activity at high current densities. Additionally, stability tests showed that the V_0.3Mo_0.7B electrode remains robust (97% retention) after ~28 hours of operation at 1000 mA/cm², making it a compelling candidate for sustainable hydrogen production.