Imaging the Atomic Surface Structures of CeO₂ Nanoparticles

Atomic surface structures of CeO₂ nanoparticles are under debate owing to the lack of clear experimental determination of the oxygen atom positions. In this study, with oxygen atoms clearly observed using aberration-corrected high-resolution electron microscopy, we determined the atomic structures of the (100), (110), and (111) surfaces of CeO₂ nanocubes. The predominantly exposed (100) surface has a mixture of Ce, O, and reduced CeO terminations, underscoring the complex structures of this polar surface that previously was often oversimplified. The (110) surface shows “sawtooth-like” (111) nanofacets and flat CeO_2–<i>x</i> terminations with oxygen vacancies. The (111) surface has an O termination. These findings can be extended to the surfaces of differently shaped CeO₂ nanoparticles and provide insight about face-selective catalysis