Theoretical study of oxidation-reduction reaction of Fe2O3 supported on MgO during chemical looping combustion

► Properties of Fe2O3/MgO composite. ► CO/O2 adsorption on Fe2O3/MgO composite. ► Mechanism of CO oxidation by Fe2O3 related to the fuel reactor of the CLC system. ► Mechanism of Fe2O2 oxidation by O2 related to the air reactor of the CLC system.