Nitrogen and Sulfur Co‐Doped Carbon‐Coated Ni3S2/MoO2 Nanowires as Bifunctional Catalysts for Alkaline Seawater Electrolysis

Abstract Bifunctional catalysts have inherent advantages in simplifying electrolysis devices and reducing electrolysis costs. Developing efficient and stable bifunctional catalysts is of great significance for industrial hydrogen production. Herein, a bifunctional catalyst, composed of nitrogen and sulfur co‐doped carbon‐coated trinickel disulfide (Ni 3 S 2 )/molybdenum dioxide (MoO 2 ) nanowires (NiMoS@NSC NWs), is developed for seawater electrolysis. The designed NiMoS@NSC exhibited high activity in alkaline electrolyte with only 52 and 191 mV overpotential to attain 10 mA cm −2 for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), respectively. Significantly, the electrolyzer (NiMoS@NSC||NiMoS@NSC) based on this bifunctional catalyst drove 100 mA cm −2 at only 1.71 V along with a robust stability over 100 h in alkaline seawater, which is superior to a platinum/nickel‐iron layered double hydroxide couple (Pt||NiFe LDH). Theoretical calculations indicated that interfacial interactions between Ni 3 S 2 and MoO 2 rearranged the charge at interfaces and endowed Mo sites at the interfaces with Pt‐like HER activity, while Ni sites on Ni 3 S 2 surfaces at non‐interfaces are the active centers for OER. Meanwhile, theoretical calculations and experimental results also demonstrated that interfacial interactions improved the electrical conductivity, boosting reaction kinetics for both HER and OER. This study presented a novel insight into the design of high‐performance bifunctional electrocatalysts for seawater splitting.