RuSe₂ and CoSe₂ Nanoparticles Incorporated Nitrogen-Doped Carbon as Efficient Trifunctional Electrocatalyst for Zinc–Air Batteries and Water Splitting

The development of affordable, highly active, and stable trifunctional electrocatalysts is imperative for sustainable energy applications such as overall water splitting and rechargeable Zn–air battery. Herein, we report a composite electrocatalyst with RuSe 2 and CoSe 2 hybrid nanoparticles embedded in nitrogen-doped carbon (RuSe 2 CoSe 2 /NC) synthesized through a carbonization–adsorption–selenylation strategy. This electrocatalyst is a trifunctional electrocatalyst with excellent hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR) activities. An in-depth study of the effect of Se on the electrocatalytic process was conducted. Notably, the incorporation of Se moderately adjusted electronic structure of Ru and Co, enhancing all three types of catalytic performance (HER, η 10 = 31 mV; OER, η 10 = 248 mV; ORR, E 1/2 = 0.834 V) under alkaline condition with accelerated kinetics and improved stability. Density functional theory (DFT) calculation reveals that the (210) crystal facet of RuSe 2 is the dominant HER active site as it exhibited the lowest Δ G H* value. The in situ Raman spectra unravel the evolution process of the local electronic environment of Co–Se and Ru–Se bonds, which synergistically promotes the formation of CoOOH as the active intermediate during the OER. The superior catalytic efficiency and remarkable durability of RuSe 2 CoSe 2 /NC as an electrode for water splitting and zinc–air battery devices demonstrate its great potential for energy storage and conversion devices.