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. 2022 Jan 28;12(6):3774–3782. doi: 10.1039/d1ra08931e

Results of the curve-fitting analysis of Zr K-edge EXAFS.

Catalyst Shell CNa r b Δσc
ZWOH_6M_12h Zr–O 4.11 ± 4.71 2.113 ± 0.065 0.082d ± 0.065
3.15 ± 3.85 2.233 ± 0.073 0.082d
Zr–W 1.64 ± 0.16 3.941 ± 0.002 0.092 ± 0.004
ZWO_6M_12h_873 (ZWO-I) Zr–O 4.05 ± 4.69 2.108 ± 0.070 0.094d ± 0.070
3.53 ± 3.69 2.241 ± 0.072 0.094d
Zr–W 2.39 ± 0.24 3.943 ± 0.003 0.107 ± 0.005
ZWO_6M_12h_1073 Zr–O 4.75 ± 2.32 2.111 ± 0.027 0.083d ± 0.038
3.13 ± 1.49 2.256 ± 0.044 0.083d
Zr–Zr 4.06 ± 0.59 3.445 ± 0.003 0.081 ± 0.008
3.68 ± 2.42 3.977 ± 0.014 0.114 ± 0.039
ZrW2O7(OH2)2 (ZWOH_6M_48h) Zr–O 3.76 ± 3.19 2.096 ± 0.044 0.066d ± 0.059
4.06 ± 2.39 2.214 ± 0.038 0.066d
Zr–W 2.67 ± 0.65 3.451 ± 0.004 0.073 ± 0.010
3.06 ± 0.71 3.910 ± 0.003 0.066 ± 0.010
ZrW2O8 (ZWO_6M_48h_873) Zr–O 6.49 ± 0.88 2.081 ± 0.005 0.079 ± 0.014
Zr–W 2.86 ± 1.09 3.720 ± 0.007 0.075 ± 0.018
4.56 ± 1.11 3.900 ± 0.004 0.073 ± 0.011
Zr(OH)x Zr–O 4.72 ± 2.19 2.121 ± 0.026 0.080d ± 0.036
1.89 ± 1.41 2.263 ± 0.050 0.080d
Zr–Zr 3.59 ± 1.24 3.390 ± 0.021 0.117 ± 0.023
0.21 ± 0.49 3.488 ± 0.013 0.063 ± 0.087
m-ZrO2 Zr–O 4.40 ± 2.23 2.111 ± 0.027 0.078d ± 0.040
3.34 ± 1.43 2.252 ± 0.038 0.078d
Zr–Zr 4.87 ± 0.68 3.450 ± 0.011 0.075 ± 0.008
3.80 ± 2.38 3.981 ± 0.013 0.097 ± 0.036
WO3–ZrO2 (reference) Zr–O 5.10 ± 2.67 2.119 ± 0.030 0.086d ± 0.040
3.25 ± 1.76 2.265 ± 0.049 0.086d
Zr–Zr 4.47 ± 0.67 3.437 ± 0.003 0.083 ± 0.008
4.82 ± 2.77 3.982 ± 0.013 0.104 ± 0.038
WO3–ZrO2 (home-made) Zr–O 4.99 ± 1.54 2.127 ± 0.017 0.089d ± 0.026
2.44 ± 0.85 2.289 ± 0.041 0.089d
Zr–Zr 6.61 ± 1.77 3.473 ± 0.013 0.094 ± 0.014
6.83 ± 2.03 3.644 ± 0.018 0.101 ± 0.021
a

Coordination number.

b

Interatomic distance.

c

Debye–Waller factor.

d

Constrained to be the same.