Table 1 Fitting results of the Rh K-edge EXAFS spectra by FEFF simulations

From: Trace mono-atomically dispersed rhodium on zeolite-supported cobalt catalyst for the efficient methane oxidation

Sample

Shell

CNa

Rb (Å)

σ2c2)

R factor (%)

Pristine Rh–Co/MOR

Rh–O

6.4d

2.03

0.0012

0.5

 

Rh–Co

3.4d

2.87

0.0029

Reduced Rh–Co/MOR

Rh–Co

5.6e

2.52

0.0041

0.8

Reduced Rh/MOR

Rh–Rh

4.8e

2.66

0.0049

1.1

Rh foil

Rh–Rh

12e (12)f

2.68 (2.68)f

0.0032

1.0

Rh2O3

Rh–O1stg

3.0d (3)f

2.03 (2.03)f

0.0019

1.2

Rh–O2ndg

3.0d (3)f

2.07 (2.07)f

0.0019

Rh–Rh1sth

1.0d (1)f

2.72 (2.72)f

0.0018

Rh–Rh2ndh

3.0d (3)f

2.99 (2.99)f

0.0018

  1. aCoordination number
  2. bInteratomic distance
  3. cDebye–Waller factor
  4. dS02 = 0.70, determined by curve-fitting analysis of Rh2O3 EXAFS to be consistent with the crystallographic data eS02 = 0.88, determined by curve-fitting analysis of Rh foil EXAFS to be consistent with the crystallographic data fCrystallography
  5. gCN, σ2, and ΔE were fixed to be the same for Rh–O 1st and 2nd shells and the difference in R was fixed at 0.04 Å, based on crystallographic data hσ2 and ΔE were fixed to be the same for Rh–Rh 1st and 2nd shells, CN for Rh–Rh2nd was fixed at three times larger than that for Rh–Rh1st, and the difference in R was fixed at 0.27 Å, based on crystallographic data