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Recently,CO oxidation has attracted considerable attention because of the important role in solving serious environmental problems caused by automobile exhaust,industrial processes and so on.The catalytic oxidation of CO on 3d transition metal-anchored Ti2CO2,a typical MXene,[1] was investigated by means of first-principles computations.Taken as an example,Ti atom could be maintained at the hollow site between three neighboring oxygen atoms with a high diffusion barrier(1.43 eV)which indicates that Ti2CO2 monolayer could prevent the formation of Ti clusters.Both Langmuir-Hinshelwood(LH)and Eley-Rideal(ER)mechanisms were considered and the results indicate that Ti-anchored Ti2CO2 monolayer exhibits very high activity even comparable to many noble metal catalysts for low-temperature CO oxidation.This work could be helpful to design more nonprecious-metal nanocatalysts for low-temperature CO oxidation and shed light on MXene prospects as advanced materials.[2]