Table 2.
EXAFS fitting | ||||||
---|---|---|---|---|---|---|
Sample | Shell | C.N. | R [Å] | σ2 × 10 [Å2] | ||
CoCp2 | Co–C | 10.0 | 2.04 | 2.6 | ||
CoCp/G | Co–O | 2.7 | 1.95 | 0.9 | ||
Co–C | 4.8 | 2.10 | 1.7 | |||
Co1/G | Co–O | 2.7 | 1.04 | 1.4 | ||
Co–C | 4.2 | 2.09 | 1.4 | |||
DFT | ||||||
R | N | |||||
CoCp/G | Co–O | 2.00 | 2 | |||
Co–C | 2.05 | 6 | ||||
Co1/G | Co–O | 1.90 | 2 | |||
Co–C | 2.03 | 4 |
C.N., coordination number; R, bond length; σ2, the Debye–Waller factor. Errors in the fitting parameters are N ± 20%, R ± 0.02 Å, σ2 ± 20%. Reproduced with permission.42 Copyright 2018, Nature Publishing Group.