Fig. 5: Calculated OER overpotential (η) as a function of Gads(O)–Gads(OH). | Nature Communications

Fig. 5: Calculated OER overpotential (η) as a function of Gads(O)–Gads(OH).

From: Cation insertion to break the activity/stability relationship for highly active oxygen evolution reaction catalyst

Fig. 5

Calculations for various surface sites on α-LiIrO3 (purple markers) and Li0.75K0.25(H2O)0.50IrO3 (red markers; see Supplementary Materials for further details on the structure of the various sites). Black lines indicate the volcano defined by the scaling relations between the adsorption energies of the ∗OH, ∗O, and ∗OOH intermediates. The inset shows the structure of the Z-step of the intercalated structure with the computational unit cell marked by black lines. (Ir is bluish gray, Li is pink, O is red, H is white, and K is purple).

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