Table 1:
DFT-calculated reaction energies and activation barriers for possible steps involved in the reduction of O
2
to OH over Au(111) in aqueous media [
98
].
Δ
𝐸
r
x
n
(kJ/mol)
Δ
𝐸
* (kJ/mol)
Reaction
O
2
∗
+
∗
→
O
∗
+
O
∗
41
105
(5)
O
2
∗
+
H
2
O
∗
→
O
O
H
∗
+
O
H
∗
−4
16
(6)
O
O
H
∗
+
∗
→
O
H
∗
+
O
∗
−56
83
(7)
O
O
H
∗
+
H
2
O
∗
→
H
O
O
H
∗
+
O
H
∗
37
48
(8)
H
O
O
H
∗
+
∗
→
O
H
∗
+
O
H
∗
−86
71
(9)