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. https://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

DOI URL: http://doi.org/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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