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Only recently, the activation of oxygen molecules on clean defect-freetransition metal oxide surfaces has been reported, for example on theCaO-terminated surface of the Ruddelsden-Popper perovskite \crosurf. In thiswork we show that oxygen molecules adsorb as an activated superoxo species on aclean SrO-terminated surface of \srosurf. At all coverages, the electronsactivating the molecule originate from the subsurface RuO$_2$ layer. At lowcoverages, the presence of a Ca dopant in the terminating SrO layer slightlyincreases the adsorption energy. At high coverage, DFT predicts a flatpotential energy surface and a preferred adsorption of the \oom\ near surfacecations. Advanced many-electron calculations (RPA) predict adsorption energiesof $-0.99$\,eV and $-0.49$\,eV per \oom~molecule for low and high coverages,respectively, and a preference for forming line-like structures in the lattercase.

Adsorption of a superoxo O2- species on the pure an Ca doped Sr3Ru2O7(001) surface