Refined structural models from best-fitted EXAFS dataa,b,c.
Catalyst | CNSXRD | CNEXAFS | R SXRD [Å] | R EXAFS [Å] | E not [eV] |
---|---|---|---|---|---|
Fe-ZSM-5 | 4.7(5) | 5.3(6) | 1.71(5) | 1.79(3) | 0.7 |
Zn-ZSM-5 | 4.8(2) | 5.2(2) | 2.11(2) | 2.07(1) | 3.4 |
Ag-ZSM-5 | 2.7(2) | 2.7(3) | 2.19(3) | 2.33(3) | 0.1 |
Estimated standard deviation (ESD) are presented in brackets; CN stands for coordination number; R represents derived atomic distance (see ESI).
The calculation of CNSXRD is based on averaging the total coordination number of each transition metal site multiple by their occupancy.
R SXRD is the occupancy weighted bond length of each M–O.