Table 1: DFT-calculated reaction energies and activation barriers for possible steps involved in the reduction of O2 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 41105(5)
O 2 + H 2 O O O H + O H −416(6)
O O H + O H + O −5683(7)
O O H + H 2 O H O O H + O H 3748(8)
H O O H + O H + O H −8671(9)