Medium-entropy alloy design enables highly efficient catalytic methanolysis of ammonia borane

In this study, a non-noble metal based CuCoNi medium-entropy alloy (MEA) catalyst is innovatively applied for hydrogen production via ammonia borane (AB) methanolysis. The optimized component of the CuCoNi MEA is determined through theoretical calculation by tuning the d -band center of alloys, and the catalysts are synthesized using rapid carbothermal shock (CTS) method, enabling the formation of MEA nanoparticles with small size and uniform composition. The CuCoNi MEA catalyst exhibits superior catalytic activity in AB methanolysis, with an activation energy of 35.1 kJ mol −1 and a turnover frequency value (TOF) of 32.65 mol H2 mol cat −1 min −1 at 30 °C, outperforming the relevant binary and unary counterparts. The exceptional catalytic activity and stability are attributed to the multi-component alloy structure and increased mixing entropy of Cu/Co/Ni. This study provides guidance for designing high-performance catalysts for AB methanolysis and promotes the integrated device application of AB in rapid hydrogen production at room temperature.