Abstract
Herein, by using state-of-the-art mass spectrometry, we demonstrated experimentally that the bimetallic copper-vanadium oxide cluster anions CuVO3,4- can catalyze the reduction of NO by CO into N2O and CO2. Note that the catalysis of NO reduction by CO has been rarely established in the gas phase and noble-metal containing clusters were commonly emphasized. Benefiting from quantum-chemical calculations, the Cu-V synergistic effect that both metal atoms work energetically to favor NO adsorption, N-N coupling, and CO oxidation by facilitating electron transfer can be understood at a strictly molecular level. Theoretical results demonstrated that the precaptured NO molecule encourages the adsorption of the second NO by electron donation. This finding deepens our understanding on NO reduction that NO functions not only as a reactant but also as a promoter during the reactions. This discovery could be helpful to permeate the nature and mechanism of active sites on related copper-vanadium heterogeneous catalyst used in real-life NO reduction.
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