SUPPORTING INFORMATION FOR

Reaction-driven ion-exchange of copper into zeolite SSZ-13

A. K. S. Clemens,1,† A. Shishkin,‡ P.-A. Carlsson,‡ M. Skoglundh,‡ F. J. Martínez-Casado,¶ Z. Matěj,¶ O. Balmes,¶ and H. Härelind1,‡

† Department of Applied Physics, and Competence Centre for Catalysis, Chalmers University of Technology, 412 96, Göteborg, Sweden ‡ Department of Chemistry and Chemical Engineering, and Competence Centre for Catalysis, Chalmers University of Technology, 412 96, Göteborg, Sweden ¶ MAX IV Laboratory - Lund University, 223 63 Lund, Sweden  1  To whom correspondence should be addressed: anna.clemens@chalmers.se, hanna.harelind@chalmers.se       This supporting information contains complete spectra, experimental parameters and main crystallographic data for the samples studied by HR-XRD.                                              

       

Table S1: Experimental parameters and main crystallographic data for the samples studied by powder XRD

Crystal data Sample C-1 Sample C-2 Sample C-2

After usage Sample C-3 Sample C-3 After usage

Composition SSZ-13 98.1%Cu-SSZ-13 1.9% CuO

98.2% Cu-SSZ-13 1.2% CuO 0.6 % Cu2O

94.6% Cu-SSZ-13 5.4% CuO

94.2% Cu-SSZ-13 5.3% CuO 0.5% Cu2O

cell setting space group

(no.)

Hexagonal R-3m (166)

a (Å), 13.56068(17) 13.5841(3) 13.5795(3) 13.5784(2) 13.5803(2) c (Å) 14.7539(3) 14.7802(5) 14.7807(5) 14.7696(4) 14.7726(4)

volume (Å3) 2349.64(6) 2361.97(11) 2360.42(11) 2358.29(9) 2359.44(9) Data collection

Diffractometer I711 (MAX IV Laboratory)

specimen mounting borosilicate glass capillary

data collection mode transmission

scan mode 2θ continuous scan 2θ range (°), step size (°

2θ)

0-120, 0.016 0-120, 0.016 0-104, 0.008 0-120, 0.016 0-104, 0.008

Refinement Refinement

method full-matrix least-squares on Inet

profile function

pseudo-Voigt

chi2 (χ2) 2.32 2.07 0.79 1.83 1.15

Rp, Rwp, Rexp 0.0263, 0.0435,

0.0290 0.0236, 0.0378,

0.0267 0.0203, 0.0289,

0.0330 0.0193, 0.0335,

0.0253 0.0217, 0.0332,

0.0310 RF, RBRAGG (SSZ-13) 0.0452, 0.0604 0.0444, 0.0649 0.0312, 0.0472 0.0467, 0.0547 0.0356, 0.0515

no. of reflections (SSZ-13)

1745 1713 1327 1703 1314

   

 Figure S1: HR-XRD pattern of Cu-SSZ-13 with 2.0 wt% Cu before using in the NH3-SCR activity experiment.

 

 Figure S2: HR-XRD pattern of Cu-SSZ-13 with 2.0 wt% Cu after the NH3-SCR activity experiment.

 Figure S3: HR-XRD pattern of Cu-SSZ-13 with 5.2 wt% Cu before using in the NH3-SCR activity experiment.

   

 Figure S4: HR-XRD pattern of Cu-SSZ-13 with 5.2 wt% after the NH3-SCR activity experiment.