Figure shows the computed Pourbaix diagrams of NiOOH(0001) considering different degrees of deprotonation and also Li + adsorption. In the absence of explicit surface water molecules, as depicted in Figure (a), deprotonation becomes more favourable as the pH and potential increase; however, in this case Li + adsorption is less favorable than deprotonation, thus its corresponding surface state does not appear in the diagram. This is mainly due to the large negative standard redox potential of alkali metals, which shifts ∆γ of the corresponding surface state to more positive values (see Eq. 4, Eq. 7, Table and Figure ). To balance this effect, one needs to further stabilize the cations on the surface. Figure (b) shows the Pourbaix diagram generated from gas phase calculations but accounting for the dipole interaction term in the surface free energy of adsorption (Eq. 8). As previously discussed, the interaction of the induced dipole moment, that is caused by deprotonation, with the electrode potential further facilitates the deprotonation at lower potentials and lower pH values; however, still with this correction Li + adsorbed state is less favorable than deprotonation states which is in contradiction with experiment .