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Table 3 Evaluation of EXAFS refinement of dehydrated VxOy/SBA-15.

From: Structural characterization of vanadium oxide catalysts supported on nanostructured silica SBA-15 using X-ray absorption spectroscopy

Type

R [Å]

σ22]

 

Procedure #1

 

Procedure #2

 
 

N

Z

± z

F

Z

± z

F

R(V-O)

4(2)

1.81

0.11

0.7

1.78

0.005

0

σ2(V-O)

4

0.0066

0.0047

0.7

0.0075

0.0004

0

R(V-O)

-(2)

1.75

0.04

0.4

-

-

 

R(V-O)

1

2.89

0.01

0.5

2.90

0.011

0

σ2(V-O)

1

0.0014

0.0017

0.9

0.0017

0.0018

0.7

R(V-V)

1

3.29

0.017

0

3.29

0.016

0

σ2(V-V)

2

0.0135

0.0203

0.7

0.0135

0.00035

0.3

R(V-V)

1

3.61

0.019

0

3.62

0.024

0

R(V-Si)

1

2.54

0.01

0

2.54

0.011

0

σ2(V-Si)

1

0.0115

0.0011

0.3

0.0121

0.0011

0

E0

-

-0.9

-0.3

0.8

-

-

-

  1. V K edge XAFS parameters (Z for distances R and disorder parameter σ2) obtained from two different procedures of fitting a model structure (i.e. "ordered V2O7 dimers" on SiO2 support) to the experimental XAFS FT(χ(k)*k3) of dehydrated VxOy/SBA-15 (10.8 wt %) (details of fit given in Table 2) together with confidence limits (± z, referring to 95% of fit residual) and significance parameters F (details given in text). Fit residual 3.1 for Procedure #1 and 3.6 for Procedure #2.