Research data from "The influence of oxygen vacancy and Ce3+ ion positions on the properties of small gold clusters supported on CeO2-X(111)"

This dataset was produced in course of a dispersion corrected density functional theory (DFT-D(U)) study investigating the effect of oxygen vacancies in CeO₂ on small gold particles . The Excel file (.xlsx) contains the vacancy position, average cluster-surface distances (in Å), average gold-gold distances (in Å), charge of the metal clusters (in e), number of Ce³⁺ ions, and presence of Au-Ce bands.

Research results based upon these data are published at https://doi.org/10.1039/D0TA01398F