Trifunctional phosphorus-doped cobalt molybdate catalyst in self-driven coupling systems for synchronized sulfur recovery and hydrogen evolution.

This study introduces a self-driven system that effectively achieves synchronized sulfur recovery and hydrogen production using a Zn-air battery. The system ingeniously integrates the sulfur oxidation reaction (SOR) and the hydrogen evolution reaction (HER) into a single, efficient process. Central to this system is the trifunctional phosphorus-doped cobalt molybdate catalyst (P-CoMoO4/NF), which exhibits superior performance in both HER (ηj = 100 = 0.13 V) and SOR (ηj = 100 = 0.30 V) with remarkable stability (∼360 h), reaching 0.64 V at 100 mA cm-2 for simultaneous sulfur ion degradation and hydrogen production. Through density functional theory simulations and extensive characterizations, it has been shown that phosphorus doping in the cobalt molybdate catalyst facilitates electron redistribution, enhancing the catalyst's conductivity, generating more oxygen vacancies, and promoting improved mass and electron transfer. This modification also lowers the energy barrier for adsorbing reaction intermediates, thus increasing the hydrogen production rate and sulfur oxide conversion in this self-powered system. In summary, this research marks a substantial advancement in the development of trifunctional catalysts and proposes an eco-friendly, cost-effective strategy for integrated reaction systems, paving the way for sustainable energy solutions.