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


Citation
Engel J, Schwartz E, Catlow CRA, et al. (2020). Research data from "The influence of oxygen vacancy and Ce3+ ion positions on the properties of small gold clusters supported on CeO2-X(111)". Cardiff University. http://doi.org/10.17035/d.2020.0098139066



Access Rights: Data is provided under a Creative Commons Attribution (CC BY 4.0) licence

Access Method: Click to email a request for this data to opendata@cardiff.ac.uk


Cardiff University Dataset Creators


Dataset Details

Publisher: Cardiff University

Date (year) of data becoming publicly available: 2020

Data format: .xlsx

Software Required: The .xlsx file can be viewed with Microsoft Excel or free programs such as OpenOffice or LibreOffice

Estimated total storage size of dataset: Less than 100 megabytes

Number of Files In Dataset: 1

DOI : 10.17035/d.2020.0098139066

DOI URL: http://doi.org/10.17035/d.2020.0098139066


Description

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


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Last updated on 2020-10-07 at 13:59