TY  - JOUR
AU  - Barth, Simon
AU  - Zengel, Deniz
AU  - Goncalves, Tiago J.
AU  - Plessow, Philipp N.
AU  - Studt, Felix
AU  - Grunwaldt, Jan-Dierk
AU  - Casapu, Maria
TI  - Tailoring the active sites in Cu-SSZ-13 as a catalyst for the selective catalytic reduction of NH<sub>3</sub> to minimize HCHO and HCN emissions
JO  - Nature catalysis
VL  - 8
IS  - 8
SN  - 2520-1158
CY  - [London]
PB  - Macmillan Publishers Limited, part of Springer Nature
M1  - PUBDB-2025-03936
SP  - 804 - 821
PY  - 2025
N1  - We acknowledge support from the state of Baden-Württembergthrough bwHPC and the German Research Foundation through grantINST 40/575-1 FUGG (JUSTUS 2 cluster, RV bw17D011).
AB  - Synthetic fuels are promising candidates for achieving carbon neutrality and lowering soot formation. However, their combustion leads to notable amounts of formaldehyde and other oxygenates. These emissions further affect the selective catalytic reduction (SCR) of NOx and cause secondary HCN emissions due to their reaction with NH3. This study focuses on elucidating the structural features of Cu-SSZ-13—a widely applied NH<sub>3</sub>-SCR catalyst—that lead to high formaldehyde conversion while minimizing HCN emissions. Complementary in situ/operando characterization techniques supported by density functional theory calculations are systematically applied for a series of Cu-SSZ-13 catalysts with different Cu loadings and Si/Al ratios. The obtained results demonstrate that the decrease in SCR activity due to the presence of HCHO correlates with the formation of mobile Cu–CN species, whereas low HCN emissions at >350 °C are associated with the presence of ZCuOH species in the catalyst structure. 
LB  - PUB:(DE-HGF)16
DO  - DOI:10.1038/s41929-025-01389-4
UR  - https://bib-pubdb1.desy.de/record/637946
ER  -