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Spectroscopic Evidence and Density Functional Theory (DFT) Analysis of Low-Temperature Oxidation of Cu+ to Cu2+NOx in Cu-CHA Catalysts: Implications for the SCR-NOx Reaction Mechanism
Despite the intense investigation on the NH3-SCR-NOx reaction mechanism catalysed by small pore Cu-CHA zeolites, neither the rate determining step of the process nor the exact nature of the active sites under reaction conditions are clearly established. In this work in situ EPR and IR techniques combined with DFT calculations are applied to the study of the oxidation half-cycle of the NH3-SCR-NOx reaction on Cu-SSZ-13 and Cu-SAPO-34 catalysts. EPR and IR spectroscopies unambiguously show thatdoi:10.1021/acscatal.8b04717.s001 fatcat:4e2d2elfozdcfoqgtylzygks3m