Regulating the d-band center of high valent Ru-doped NiCoP for efficient electrocatalyst in robust anion exchange membrane water electrolysis devices

Hydrogen energy is emerging as a promising alternative to fossil fuels due to its high energy carrier and zero-carbon emissions. However, producing green hydrogen remains a challenging task, with high costs and poor durability of catalysts. Herein, a novel strategy is proposed to regulate the electronic configuration of Ru on the NiCoP framework and maximize active sites. Theoretical calculation demonstrated that the incorporation of Ru atoms could adjust the d-band center and strengthen the adsorption of intermediated species on the catalyst surface. Additionally, the Ru-NiCoP catalyst enables electron transport and immobilizes electrode during the electrolysis process. The 10Ru-NiCoP catalyst required overpotentials of 42 and 230 mV to obtain a current density of 10 mA cm⁻² for HER and OER. The water-splitting cell based on 10Ru-NiCoP bifunctional catalyst required a minimal potential of 1.49 V to achieve a current density of 10 mA cm⁻² with an excellent retention of 80 % after continuously operating for 50 h. Notably, the anion-exchange membrane water electrolysis cell achieved a minimal voltage of 1.964 V at 0.8 A cm⁻² and exhibited a slight degradation of 7 % after operation for 1000 h.