Regulating Oxygen Vacancies and Desulfurization Product Selectivity through Cu‐Zr Bimetallic Synergy to Enhance Low‐Temperature Catalytic Hydrolysis of Carbonyl Sulfide (COS)

The comprehensive purification of carbonyl sulfide (COS) can facilitate sustainable environmental development and the high‐value utilization of mineral thermal furnace gas. In this study, a series of ZnAlOx‐based catalysts are synthesized and employed for the catalytic hydrolysis of COS. Copper oxide (CuO) and zirconium oxide (ZrO 2 ) are the predominant catalytic active components. Adsorbed oxygen and hydroxyl oxygen on ZnAlOx are the primary oxygen species involved in the COS hydrolysis process. Oxygen vacancies are identified as a critical factor in the COS catalytic hydrolysis process. The synergistic effect of Cu and Zr can regulate the excessive oxidation of hydrogen sulfide (H 2 S) and further augment the number of oxygen vacancies on the catalyst surface. The ─OH functional group exhibits a higher degree of reactivity compared to the C─H functional group. The synergistic effect of Cu and Zr can provide sufficient hydroxyl groups for the COS hydrolysis reaction and effectively control the secondary over‐oxidation of H 2 S. Oxygen vacancies augment the adsorption of COS and H 2 O, and is advantageous for the hydrolysis reaction of COS and H 2 O. The collective effect of CuO, ZrO 2 , and oxygen vacancies is a reduction in the reaction energy barrier during the hydrolysis of COS.