Results of the fits performed on the k2-weighted FT-EXAFS spectrum of Cu-CHA 0.6_29 (transformed in the 2.4–12.0 Å−1k-range) after exposure to the NO/O2 mixture at 200 °C in O2. Parameter values set in the fit are underlined. Coordination numbers for all coordination shells, except for the Cuef one, were fixed based on the structural model in Fig. 6a (Z[CuIINO3] 8r).
| EXAFS parameters | Best-fit values Cu-CHA 0.6_29 Z[CuIINO3] 8r model |
|---|---|
| N°par/N°ind | 13/18 |
| R factor | 0.005 |
| S 0 2 | 0.95 |
| ΔE (eV) | −3 ± 1 |
| 〈RO_fw〉 (Å) | 1.87 ± 0.03 |
| 〈RO1_NO3〉 (Å) | 1.97 ± 0.02 |
| RT_fw (Å) | 2.72 ± 0.01 |
| α fw | −0.04 ± 0.01 |
| RCu_ef (Å) | 3.30 ± 0.08 |
| σO_fw2 (Å2) | 0.005 ± 0.003 |
| σO1_NO32 (Å2) | 0.004 ± 0.002 |
| σT_fw2 (Å2) | 0.006 ± 0.002 |
| σN/O2_NO32 (Å2) | 0.015 ± 0.002 |
| σfw2 (Å2) | 0.008 ± 0.002 |
| σCu_ef2 (Å2) | 0.01 |
| σ MS 2 | 0.009 ± 0.003 |
| N Cu_ef | 0.3 ± 0.3 |