The Structure of Oxygen Vacancies in the Near-Surface of Reduced CeO2 (111) Under Strain.

ABSTRACT: Strain has been widely recognized as important for tuning the behavior of defects in metal oxides since properties such as defect configuration, electronic structure, excess charge localization, and local atomic distortions may be affected by surface strain. In CeO2, the most widely used promoter in three-way catalysts and solid state electrolyte in fuel cells, the behaviors of oxygen vacancies, and associated Ce3+ polarons are crucial in applications. Recent STM and AFM investigations as well as DFT-based calculations have indicated that in the near-surface of CeO2 (111), at low temperatures and vacancy concentrations, subsurface oxygen vacancies are more stable than surface ones, and the Ce3+ ions are next-nearest neighbors to both types of vacancies, which can be explained by the better

SUBMITTER: Han ZK 

PROVIDER: S-EPMC6592146 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature