Experimental and first-principles insights into an enhanced performance of Ru-doped copper phosphate electrocatalyst during oxygen evolution reaction

Abstract

The oxygen evolution reaction (OER) is a vital half-reaction in many applications, such as the electrochemical H2O splitting, CO2, and N2 conversion processes. The OER involves a four-electron transfer and is a kinetically sluggish reaction that requires additional potential to drive. To enhance the electrochemical performance of the above-mentioned applications, highly efficient, corrosion-resistant, earth-abundant, and eco-friendly electrocatalysts are required. Here, we report a highly porous, minimally Ru-doped copper phosphate electrocatalyst obtained through co-precipitation. The optimized electrocatalyst (5% Ru-doped copper phosphate) exhibits a low overpotential of 340 mV to achieve 10 mA cm−2 compared to copper-based materials, and it remains stable over 20 h. The high performance is attributed to a high electrochemically effective surface area (ECSA) of 30.25 cm2, facilitating effective ion transportation at the electrode/electrolyte interface and excellent electrical conductivity. This result is supported by density functional theory calculations, which demonstrate that ruthenium enhances the electrochemical properties by increasing electronic conductivity, reducing the theoretical overpotential, and influencing the rate-determining step of the oxygen evolution reaction. Herein, the electrocatalyst is attractive for commercialization due to its utilization of minimal ruthenium in earth-abundant electrocatalysts, which offer competitive performance.