Role of oxygen vacancies in the surface evolution of H at CeO2(111): a charge modification effect.

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...

Oxygen Vacancies versus Fluorine at the CeO2 (111) surface: A Case of Mistaken Identity?

Synthesis of 1,3-Diols from Isobutene and HCHO via Prins Condensation-Hydrolysis Using CeO2 Catalysts: Effects of Crystal Plane and Oxygen Vacancy

We herein report the synthesis of 3-methyl-1,3-butanediol from isobutene and HCHO in water via a Prins condensation-hydrolysis reaction over CeO2, which is a water-tolerant Lewis acid catalyst. The CeO2 exhibits significant catalytic activity for the reaction, giving 95% HCHO conversion and 84% 3-methyl-1,3-butanediol selectivity at 150 ◦C for 4 h. The crystal planes of CeO2 have a significant ...

Water adsorption on the stoichiometric and reduced CeO2(111) surface: a first-principles investigation.

We present a density functional theory investigation of the interaction between water and cerium oxide surfaces, considering both the stoichiometric and the reduced surfaces. We study the atomic structure and energetics of various configurations of water adsorption (for a water coverage of 0.25 ML) and account for the effect of temperature and pressure of the environment, containing both oxygen...

Titration of Ce3+ ions in the CeO2(111) surface by Au adatoms.

The role of surface and subsurface O vacancies for gold adsorption on crystalline CeO2(111) films has been investigated by scanning tunneling microscopy and density functional theory. Whereas surface vacancies serve as deep traps for the Au atoms, subsurface defects promote the formation of characteristic Au pairs with a mean atom distance of two ceria lattice constants (7.6 Å). Hybrid density ...