Vacancy formation, stability, and electronic properties of nickel on equimolar ceria–zirconia mixed oxide (111) catalyst
Sanjana Srinivas, George Yan, Stavros Caratzoulas, Dionisios G. Vlachos
Abstract
Oxygen vacancies are highly stable in the subsurface, near Zr 4+ species on CZO(111). While Ni single atoms strongly bind to the CZO(111) surface, they destabilize oxygen vacancy formation in their vicinity.
Topics & Concepts
CatalysisVacancy defectCubic zirconiaNickelOxideMixed oxideMaterials scienceNickel oxideChemical engineeringInorganic chemistryChemistryMetallurgyCrystallographyOrganic chemistryCeramicEngineeringCatalytic Processes in Materials ScienceElectronic and Structural Properties of OxidesSemiconductor materials and devices