Catalytic oxidation of CO by N2O conducted via the neutral oxide cluster couple VO2/VO3

Abstract

Neutral vanadium and cobalt oxide clusters are generated at the same time employing a V–Co mixed target. Experimental results indicate that the reaction VO₂ + N₂O → VO₃ + N₂ occurs in a fast flow reactor. This interpretation is further supported for a gas mixture of CO and N₂O in the flow cell: regeneration of VO₂ is observed for this case via the reaction VO₃ + CO → VO₂ + CO₂. A full catalytic cycle for the reaction N₂O + CO → N₂ + CO₂ is thus complete at room temperature enabled by the VO₂/VO₃ cluster couple. DFT calculations demonstrate that the entire catalytic process is overall barrierless and reproduce the experimental results quite well.