Elementary steps

ΔE

ΔZPE

−TΔS

ΔG

NiFe-LDHs (100)

Fe作位点

H₂O (l) + 1 → 2 + H⁺ + e⁻

1.078

−0.097

0.470

1.451

2 → 3 + H⁺ + e⁻

2.300

−0.167

−0.200

1.933

H₂O (l) + 3 → 4 + H⁺ + e⁻

0.457

−0.046

0.470

0.881

4 → 1 + O₂ + H⁺ + e⁻

0.936

−0.190

−0.830

0.655

NiFe-LDHs (100)

Ni作位点

H₂O (l) + 5 → 6 + H⁺ + e⁻

1.010

−0.074

0.470

1.406

6 → 7 + H⁺ + e⁻

2.598

−0.183

−0.200

2.215

H₂O (l) + 7 → 8 + H⁺ + e⁻

0.426

−0.047

0.470

0.849

8 → 5 + H⁺ + e⁻

1.052

−0.196

−0.830

0.450