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Oxygen Vacancies in Ceria Surfaces by 3femto is a document available to read on EtoBox.

This study investigates the roles of oxygen vacancies and electron localization on the surfaces of reduced ceria (CeO2) using density functional theory (DFT). The findings reveal that oxygen vacancies lead to the formation of Ce3+ sites, significantly altering the electronic properties and conductivity of ceria surfaces, particularly making (110) and (100) surfaces semi-metallic. The results suggest that reduced ceria can enhance catalytic activity due to the presence of these vacancies and localized electr

Author

3femto

Language

EN