Spectroscopic Properties of Cu-SSZ-13 in the SCR of NOx: Computational IR and XANES Study

Molecular adsorption onto Cu in different sites results in same K-edge XANES, which correlates well with the fact that the energy differences between Cu in 8MR and 6MR sites almost disappear upon molecular adsorption. In addition, experimental and computational IR results of NO adsorbed on Cu-SSZ-13 are in good agreement.