Electron-deficient Co7Fe3 induced by interfacial effect of molybdenum carbide boosting oxygen evolution reaction

Abstract

Developing a high-activity and low-cost catalyst to reduce the anodic overpotential is essential for hydrogen production from water splitting. In this work, a hetero-structured Co7Fe3/Mo2C@C catalyst has been developed to efficiently catalyze oxygen evolution reaction (OER), the overpotential (ƞ10) of Co7Fe3/Mo2C@C-catalyzed OER with current density of 10 mA/cm2 is about 254 mV, substantially lower than the counterparts of Co7Fe3@C-catalyzed OER (ƞ10, 308 mV) and Mo2C@C-catalyzed OER (ƞ10, 439 mV), close to that of OER catalyzed by commercial RuO2. The mechanistic studies reveal that the distinct electron transfer across the Co7Fe3/Mo2C interface results in electron-deficient Co7Fe3, which has been identified as the highly active catalytic sites. Density functional theory (DFT) calculations manifest that Mo2C induces a distinct decrease in electron density on Co7Fe3 and upgrades the d-band centers of Co and Fe in Co7Fe3 towards Fermi energy level, thus substantially lowering the energy barrier of the rate-determining reaction step and conferring significantly improved OER activity on the Co7Fe3/Mo2C@C catalyst.