Table 1 FEFF fitting parameters for Ni–K edge in situ XAS data.
Condition | Vector | CNa | σ2 (Å)2b | ΔE0 (eV) | R (Å)c |
|---|---|---|---|---|---|
As-prepared | Ni–S | 3.6 | 0.006 | −8.01 | 2.20 |
Ni–O | 1.0 | 0.006 | −1.03 | 2.37 | |
Ni–Mo | 0.8 | 0.010 | −15.44 | 3.10 | |
No potential, acidic | Ni–S | 3.5 | 0.007 | −5.52 | 2.21 |
Ni–O | 1.0 | 0.007 | −5.48 | 2.41 | |
Ni–Mo | 1.3 | 0.010 | −13.22 | 3.02 | |
0 V vs. RHE, acidic | Ni–S | 3.6 | 0.006 | −2.52 | 2.21 |
Ni–O | 1.0 | 0.006 | −1.39 | 2.37 | |
Ni–Mo | 1.0 | 0.012 | −16.37 | 2.96 | |
−0.76 V vs. RHE, acidic | Ni–S | 3.6 | 0.006 | 0.35 | 2.22 |
Ni–O | 1.0 | 0.006 | 6.53 | 2.38 | |
Ni–Mo | 2.8 | 0.010 | −20.75 | 2.97 | |
No potential, alkaline | Ni–S | 1.7 | 0.010 | 0.58 | 2.21 |
Ni–O | 4.2 | 0.006 | 0.58 | 2.05 | |
Ni–Ni | 4.9 | 0.008 | 6.13 | 3.12 | |
0 V vs. RHE, alkaline | Ni–S | 1.9 | 0.008 | −0.25 | 2.20 |
Ni–O | 3.8 | 0.007 | −0.25 | 2.04 | |
Ni–Ni | 3.9 | 0.008 | 1.26 | 3.08 | |
−0.76 V vs. RHE, alkaline | Ni–S | 1.0 | 0.001 | 4.65 | 2.20 |
Ni–O | 2.1 | 0.009 | −0.79 | 2.07 | |
Ni–Ni | 2.1 | 0.005 | 5.53 | 2.53 |
