Mechanistic study of the effect of oxygen vacancy and sulfur poisoning on the reaction of copper ferrite spinel with CO during chemical-looping combustion

The surface structure has a great influence on the chemistry property and performance of oxygen carrier used for chemical-looping combustion. Based on density functional theory and periodic structure model, the effect of oxygen vacancy and sulfur poisoning on the reaction of copper ferrite spinel with CO during chemical-looping combustion was systematically studied. The results show that Cu–O2 bridging site shows better activity towards CO...