Atomic Structure of a CeO2 Grain Boundary: The Role of Oxygen Vacancies

摘要: Determining both cation and oxygen sublattices of grain boundaries is essential to understand the properties oxides. Here, with scanning transmission electron microscopy, energy-loss spectroscopy, first-principles calculations, Ce a (210)Σ5 CeO2 boundary were determined. Oxygen vacancies are shown play crucial role in stable structure. This finding paves way for comprehensive understanding through atomic scale determination atom defect locations.