Cu-exchanged SSZ-13 zeolites are highly active for the selective cataltyic reduction of NOx. A key outstanding question is the identify and nature of the 'active site' in this catalysis. This question is difficult to answer because the zeolite environment is not homogeneous; microscopic disorder arises from the relative number and distribution of Si and Al T-sites, of various Cu coordination sites, oxidation states, and extents of aggregation, of Bronsted sites, among others. In this presentation we describe statistical and density functional theory (DFT) analyses to count the numbers and characterize the chemistries of potential sites. We use this information develop an SCR mechanism consistent with the observed change in Cu oxidation state with SCR turnover.

Sites and mechanisms for NO<sub>x</sub> transformations in Cu-SSZ-13

248th National Meeting (2014)

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Sites and mechanisms for NOx transformations in Cu-SSZ-13

Sites and mechanisms for NO_x transformations in Cu-SSZ-13