Abstract

The atomic structures of Cu2O surfaces can significantly affect catalytic properties. By combining aberration‐corrected transmission electron microscopy (TEM) with density functional theory (DFT) calculations, it is shown that the Cu2O(111) surface stabilizes in a bulk‐truncated 1 × 1 structure with coordinatively unsaturated Cu atoms under low‐oxygen conditions. This differs from the known 1 × 1‐CuCUS structure with coordinatively unsaturated Cu atom vacancies.

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