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Research data supporting "A predictive modelling study of the impact of chemical doping on the strength of a Ag/ZnO interface"

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datacite.contributor.supervisorBristowe, Paul David
datacite.issupplementto.doi10.1063/1.5051987
dc.contributor.authorWang, T
dc.contributor.authorBristowe, PD
dc.contributor.orcidWang, Tianwei [0000-0001-6223-3975]
dc.contributor.orcidBristowe, Paul [0000-0002-3153-1387]
dc.date.accessioned2018-12-21T07:35:01Z
dc.date.available2018-12-21T07:35:01Z
dc.descriptionThe data and lattice structures used to calculate the interfacial adhesion and bond populations are available in this dataset.
dc.formatThese data files can be opened or edited by any text editor. The lattice structure files can also be visualised using VESTA or CrystalMaker. These files can be used as input files for computational package VASP.
dc.identifier.doi10.17863/CAM.25930
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/287354
dc.rightsAttribution 4.0 International (CC BY 4.0)
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subjectAg/ZnO interface
dc.subjectInterfacial adhesion
dc.subjectDopant segregation
dc.subjectAg inter-diffusion
dc.subjectDFT calculations
dc.titleResearch data supporting "A predictive modelling study of the impact of chemical doping on the strength of a Ag/ZnO interface"
dc.typeDataset
dcterms.formatPOSCAR, CONTCAR
pubs.funder-project-idEngineering and Physical Sciences Research Council (EP/P022596/1)
rioxxterms.licenseref.urihttps://creativecommons.org/licenses/by/4.0/
rioxxterms.typeOther

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Research Data - Materials Science and Metallurgy