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

Dyfyniad
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


Hawliau Mynediad: Darperir Data dan drwydded Creative Commons Attribution (CC BY 4.0)
Dull Mynediad: I anfon cais i gael y data hwn, ebostiwch opendata@caerdydd.ac.uk

Crewyr y Set Ddata o Brifysgol Caerdydd

Manylion y Set Ddata
Cyhoeddwr: Cardiff University
Dyddiad (y flwyddyn) pryd y daeth y data ar gael i'r cyhoedd: 2020
Fformat y data: .xlsx
Meddalwedd ofynnol: The .xlsx file can be viewed with Microsoft Excel or free programs such as OpenOffice or LibreOffice
Amcangyfrif o gyfanswm maint storio'r set ddata: Llai na 100 megabeit
Nifer y ffeiliau yn y set ddata: 1
DOI: 10.17035/d.2020.0098139066

Disgrifiad

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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Diweddarwyd y tro diwethaf ar 2020-23-03 am 15:04