Enhanced low-temperature behavior of selective catalytic reduction of NOx by CO on Fe-based catalyst with looping oxygen vacancy

The industrial applications of de-NOx require the high activity window of the catalysts to be shifted from high to low temperatures for energy saving. Selective catalytic reduction (SCR) of NOx by CO, as an alternative to NH3- SCR, is a promising de-NOx technology that facilitates the synergistic removal of pollutants. Herein, we report a new Fe2O3/amorphous SiO2 catalyst with high low-temperature activity for CO-SCR. A combination of experi-ments and density functional theory (DFT) calculations obtains direct evidence that an optimal content of oxygen vacancy enhances the low-temperature NO conversion ratio and N2 selectivity of Fe2O3-based catalyst to over 80% and maintain 100% CO conversion by promoting NN coupling via ONNO/N2O and NCO/NNCO2 in-termediates. Compared with conventional defect engineering, such as doping other metals or artificially generating oxygen defects, the alpha-Fe2O3 (1 1 0) facet automatically enables an oxygen vacancy generation-filling cycle in the CO-SCR reaction, following Mars-van Krevelen (MvK) mechanism. This work advances a funda-mental understanding of CO-SCR reaction mechanism over Fe2O3-based catalysts and provides insights for future studies to improve heterogeneous metal oxide catalysts.