Constructing Complementary Catalytic Components on Co ₄ N Nanowires to Achieve Efficient Hydrogen Evolution Catalysis

Cobalt nitrides with a high ratio of cobalt–cobalt interaction have been extensively explored as electrocatalysts for hydrogen evolution reaction (HER) catalysis. However, the tilted orbital orientation and limited empty d-orbitals above Fermi level (EF) result in unfavorable water adsorption/activation. Herein, facile interfacial engineering by situ growing MoN particles on Co4N nanowire arrays to explore synergistic mechanism boosting HER catalysis is developed. The overpotential prepared MoN–Co4N at 10 mA cm−2 only 45.1 mV, which substantially better than pristine (207 mV). According density functional theory (DFT) calculations, vertical more EF contributes adsorption activation, while surface responsible adsorption/desorption intermediate H. Understanding effects each catalytic component atomic levels offers valuable insights rational design efficient catalysts beyond.