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Understanding the SCR mechanism in Cu-SSZ-13 catalyst with in situ and operando XAS and XES techniques

Name
Carlo
Surname
Lamberti
Scientific organization
Southern Federal University
Academic degree
Professor
Position
Scientific Director
Scientific discipline
New materials, Manufacturing technologies & Processes
Topic
Understanding the SCR mechanism in Cu-SSZ-13 catalyst with in situ and operando XAS and XES techniques
Abstract
Cu-SSZ-13 is a highly active catalyst for the NH3-assisted selective catalytic reduction (SCR) of the harmful nitrogen oxides (NOx, x=1, 2). Herein, we combined XAS and XES spectroscopies, complemented by FTIR and EPR, with DFT computational analysis to elucidate the nature and location of the most abundant Cu-sites upon different reaction-relevant conditions and on this basis suggest a consistent mechanism for the NH3-SCR reaction.
Keywords
Zeolites, XAS, XES, EXAFS, XANES, FTIR, DFT
Summary

Cu-SSZ-13 is a highly active catalyst for the NH3-assisted selective catalytic reduction (SCR) of the harmful nitrogen oxides (NOx, x=1, 2). Since the catalytically active sites for this reaction are mainly represented by isolated Cu ions incorporated into the zeolitic framework, the element-selective study of Cu local environment is crucial for understanding of the enhanced catalytic properties of this material. Herein, we combined XAS and XES spectroscopies, complemented by FTIR and EPR, with DFT computational analysis to elucidate the nature and location of the most abundant Cu-sites upon different reaction-relevant conditions and on this basis suggest a consistent mechanism for the NH3-SCR reaction.