“…Therefore, Ce1-xTixO2 catalysts with a suitable ratio of Ti/Ce+Ti, which can provide enough surface oxygen available for the oxidation, present high activity for the oxidation of B, CB and DCB and high selectivity for CO or CO2. In order to obtain deep insights into this reaction at a molecular level, a mechanism over effective Ce1-xTixO2 catalysts consisting of six elementary steps is schematized: (1) the formation of π-complex of o-DCB adsorption during the interaction of o-DCB with common Lewis acid sites (Ce 3+ /Ce 4+ and Ti 4+ ) and with Ce-OH and Ti-OH, (2) chlorine abstraction by nucleophilic oxygen (basic lattice oxide ions or hydroxyl groups) to form phenolate intermediate, (3) adsorption of the gas-phase oxygen on the surface to replenish the consumed oxygen, (4) the attack of active surface oxygen species (such as O2 -and O -adsorbed in vacancies) to aromatic ring, (5) the formation of oxygenate species, such as carbonate bidentate and partially oxidized surfacespecies such as formates, acetates, maleates, carboxylates of the acetate type;(6) further effective reaction of oxygenate species to form gas-phase reaction products (CO2, CO, H2O, HCl and Cl2)(Fig. S7).…”