A full monolayer of superoxide: oxygen activation on the unmodified Ca₃Ru₂O₇(001) surface.

ABSTRACT: Activating the O₂ molecule is at the heart of a variety of technological applications, most prominently in energy conversion schemes including solid oxide fuel cells, electrolysis, and catalysis. Perovskite oxides, both traditionally-used and novel formulations, are the prime candidates in established and emerging energy devices. This work shows that the as-cleaved and unmodified CaO-terminated (001) surface of Ca₃Ru₂O₇, a Ruddlesden-Popper perovskite, supports a full monolayer of superoxide ions, O₂^-, when exposed to molecular O₂. The electrons for activating the molecule are transferred from the subsurface RuO₂ layer. Theoretical calculations using both, density functional theory (DFT) and more accura

SUBMITTER: Halwidl D 

PROVIDER: S-EPMC6003542 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature