Roles of Oxygen Vacancies of CeO<sub>2</sub> and Mn-Doped CeO<sub>2</sub> with the Same Morphology in Benzene Catalytic Oxidation.
Min Yang, Genli Shen, Qi Wang, Ke Deng, Mi Liu, Yunfa Chen, Yan Gong, Zhen Wang
Abstract
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.
Topics & Concepts
CatalysisVacancy defectElectron paramagnetic resonanceRaman spectroscopyOxygenDensity functional theoryMaterials scienceDopingBenzeneInorganic chemistryCrystallographyChemistryComputational chemistryNuclear magnetic resonanceOrganic chemistryOptoelectronicsPhysicsOpticsCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsCatalysis and Hydrodesulfurization Studies