Roles of Oxygen Vacancies of CeO(2) and Mn-Doped CeO(2) with the Same Morphology in Benzene Catalytic Oxidation

Mn-doped CeO(2) and CeO(2) with the same morphology (nanofiber and nanocube) have been synthesized through hydrothermal method. When applied to benzene oxidation, the catalytic performance of Mn-doped CeO(2) is better than that of CeO(2), due to the difference of the concentration of O vacancy. Compared to CeO(2) with the same morphology, more oxygen vacancies were generated on the surface of Mn-doped CeO(2), due to the replacement of Ce ion with Mn ion. The lattice replacement has been analyzed through XRD, Raman, electron energy loss spectroscopy and electron paramagnetic resonance technology. The formation energies of oxygen vacancy on the different exposed crystal planes such as (110) and (100) for Mn-doped CeO(2) were calculated by the density functional theory (DFT). The results show that the oxygen vacancy is easier to be formed on the (110) plane. Other factors influencing catalytic behavior have also been investigated, indicating that the surface oxygen vacancy plays a crucial role in catalytic reaction.