Where ∆𝐺 𝑎𝑑𝑠 is the adsorption energy of the adsorbate(*O, *OH or *OOH), ∆𝐸 𝑎𝑑𝑠 is the electronic adsorption energy of the adsorbate, ∆𝐸 𝑍𝑃𝐸 is the zero-point vibrational energy difference between adsorbed and gaseous species, 𝑇∆𝑆 𝑎𝑑𝑠 is the entropy difference between the gaseous and adsorbed species, 𝐸 𝑠𝑙𝑎𝑏 is the energy of the clean slab, 𝐸 𝑠𝑙𝑎𝑏+𝑂𝑥𝐻𝑦 is the energy of the slab with the adsorbate species on the surface, 𝐸 𝑂 is the energy of an oxygen atom, 𝐸 𝐻 is the energy of a hydrogen atom, 𝐸 𝐻 2 𝑂 is the energy of a water molecule and 𝐸 𝐻 2 is the energy of a hydrogen molecule.