{"id":12870,"identifier":"JUELICH-DATA/CYHXRM","persistentUrl":"https://doi.org/10.26165/JUELICH-DATA/CYHXRM","protocol":"doi","authority":"10.26165","publisher":"Jülich DATA","publicationDate":"2023-11-15","storageIdentifier":"s3://10.26165/JUELICH-DATA/CYHXRM","datasetVersion":{"id":410,"datasetId":12870,"datasetPersistentId":"doi:10.26165/JUELICH-DATA/CYHXRM","storageIdentifier":"s3://10.26165/JUELICH-DATA/CYHXRM","versionNumber":1,"versionMinorNumber":1,"versionState":"RELEASED","lastUpdateTime":"2024-01-26T10:16:38Z","releaseTime":"2024-01-26T10:16:38Z","createTime":"2023-11-15T09:25:32Z","license":"CC0","termsOfUse":"CC0 Waiver","fileAccessRequest":false,"metadataBlocks":{"citation":{"displayName":"Citation Metadata","fields":[{"typeName":"title","multiple":false,"typeClass":"primitive","value":"Replication Data for: Space charge governs the kinetics of metal 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Uwe"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Forschungszentrum Jülich"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Rose, Marc-André"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Forschungszentrum Jülich"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Menzler, Norbert H."},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Forschungszentrum Jülich"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Dittmann, Regina"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Forschungszentrum Jülich"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Waser, Rainer"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Forschungszentrum Jülich"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Guillon, Olivier"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Forschungszentrum Jülich"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Gunkel, Felix"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Forschungszentrum Jülich"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Lenser, Christian"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Forschungszentrum Jülich"}}]},{"typeName":"datasetContact","multiple":true,"typeClass":"compound","value":[{"datasetContactName":{"typeName":"datasetContactName","multiple":false,"typeClass":"primitive","value":"Weber, Moritz"},"datasetContactAffiliation":{"typeName":"datasetContactAffiliation","multiple":false,"typeClass":"primitive","value":"Forschungszentrum Jülich"},"datasetContactEmail":{"typeName":"datasetContactEmail","multiple":false,"typeClass":"primitive","value":"mo.weber@fz-juelich.de"}},{"datasetContactName":{"typeName":"datasetContactName","multiple":false,"typeClass":"primitive","value":"Gunkel, Felix"},"datasetContactAffiliation":{"typeName":"datasetContactAffiliation","multiple":false,"typeClass":"primitive","value":"Forschungszentrum Jülich"},"datasetContactEmail":{"typeName":"datasetContactEmail","multiple":false,"typeClass":"primitive","value":"f.gunkel@fz-juelich.de"}},{"datasetContactName":{"typeName":"datasetContactName","multiple":false,"typeClass":"primitive","value":"Lenser, Christian"},"datasetContactAffiliation":{"typeName":"datasetContactAffiliation","multiple":false,"typeClass":"primitive","value":"Forschungszentrum Jülich"},"datasetContactEmail":{"typeName":"datasetContactEmail","multiple":false,"typeClass":"primitive","value":"c.lenser@fz-juelich.de"}}]},{"typeName":"dsDescription","multiple":true,"typeClass":"compound","value":[{"dsDescriptionValue":{"typeName":"dsDescriptionValue","multiple":false,"typeClass":"primitive","value":"The present data repository contains all suitable data that provide the basis for the main figures of the manuscript as specified by the pulication guidelines. Accordingly, a record of text files are provided in the form of excel sheets for each relevant figure and named after the respective figure of the manuscript. Figure_1b.xlsx, Figure_2d_as-deposited_termination, Figure_2d_SrO_termination.xlsx, Figure_3d_STNNi-NbSTO.xlsx and Figure_3d_STNNi-NbSTO.xlsx contain experimental data on the properties of nanoparticles synthesized by metal exsolution as determined by evaluation of topological data obtained by atomic force microscopy. Figure_1c.xlsx contains experimental data on the cation depth profiles measured by secondary ion mass spectrometry. Figure_2a.xlsx contains XPS Ni 2p core-level spectra for different states of STNNi (different thermal oxidation / thermal reduction history and annealing time). Figure_2b.xlsx contains relative intenisty rations for the metal and oxide Ni 2p states as a function of the thermal oxidation / thermal reduction history and annealing time. Figure_2c.xlsx contains values of the space-charge induced binding energy shifts in the peak maxima of XPS O 1s, Ti 2p, Nb 3d and Sr 3d core-level recorded during consecutive thermal oxidation (p(O2) = 0.1 mbar, T = 400°C) and thermal reduction (p(H2) = 0.92 mbar, T = 400°C) steps relative to ultra high vacuum conditions. Figure_3b.xlsx and Figure_3c.xlsx contain data on the space charge potential profiles in the near-surface region of n-type STO obtained by finite-element electrostatic space charge simulations."},"dsDescriptionDate":{"typeName":"dsDescriptionDate","multiple":false,"typeClass":"primitive","value":"2023-10-05"}}]},{"typeName":"subject","multiple":true,"typeClass":"controlledVocabulary","value":["Chemistry","Physics"]},{"typeName":"keyword","multiple":true,"typeClass":"compound","value":[{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"Metal exsolution, Space charge, Oxide epitaxy, Nanostructured catalysts, Nanoparticles, Solid oxide cells"}}]},{"typeName":"publication","multiple":true,"typeClass":"compound","value":[{"publicationCitation":{"typeName":"publicationCitation","multiple":false,"typeClass":"primitive","value":"10.1038/s41563-023-01743-6"}}]},{"typeName":"depositor","multiple":false,"typeClass":"primitive","value":"Weber, Moritz"},{"typeName":"dateOfDeposit","multiple":false,"typeClass":"primitive","value":"2023-10-05"}]},"fzj":{"displayName":"FZJ Metadata","fields":[{"typeName":"institute","multiple":true,"typeClass":"controlledVocabulary","value":["IEK-1","PGI-7"]},{"typeName":"pof4","multiple":true,"typeClass":"controlledVocabulary","value":["Not covered by a PoF IV topic (POF4-899)"]}]}},"files":[{"description":"The present document specifies the data which can be found in the repository and specifies the applied data treatement procedures.","label":"Comment_data repository.pdf","restricted":false,"version":1,"datasetVersionId":410,"dataFile":{"id":14203,"persistentId":"","pidURL":"","filename":"Comment_data repository.pdf","contentType":"application/pdf","filesize":182664,"description":"The present document specifies the data which can be found in the repository and specifies the applied data treatement procedures.","storageIdentifier":"s3://juelich_data:18bd0253901-702dbe0fb9ad","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"7be392838b2aa0b632c76dff9e23bac332238940e06adeb97fca634f9038c01a"},"creationDate":"2023-11-14"}},{"description":"Experimental data on the properties of nanoparticles synthesized by metal exsolution at different temperatures of T=600°C, T=700°C and T=800°C as determined by evaluation of topological data obtained by atomic force microscopy.","label":"Figure_1b.xlsx","restricted":false,"directoryLabel":"Figure 1","version":1,"datasetVersionId":410,"dataFile":{"id":12879,"persistentId":"","pidURL":"","filename":"Figure_1b.xlsx","contentType":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","filesize":867056,"description":"Experimental data on the properties of nanoparticles synthesized by metal exsolution at different temperatures of T=600°C, T=700°C and T=800°C as determined by evaluation of topological data obtained by atomic force microscopy.","storageIdentifier":"s3://juelich_data:18affe5c9df-8ac3cd852585","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"6062cd3818a3b2145bea4b3ae0e55d52297dbc4f32226b61cb6118d2e6268d7f"},"creationDate":"2023-10-05"}},{"description":"Experimental data on the cation depth profiles measured by secondary ion mass spectrometry for an STNNi thin film after thermal reduction at T=800°C (4% H2/Ar, t = 30h). 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Determined by evaluation of topological data obtained by atomic force microscopy from samples of native surface termination.","label":"Figure_2d_as-deposited_termination.xlsx","restricted":false,"directoryLabel":"Figure 2","version":1,"datasetVersionId":410,"dataFile":{"id":12874,"persistentId":"","pidURL":"","filename":"Figure_2d_as-deposited_termination.xlsx","contentType":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","filesize":420021,"description":"Experimental data on the properties of nanoparticles synthesized by metal exsolution after different thermal pre-oxidation times of t = 20 min, t = 60 min and t = 180 min (p(O2) = 0.108 mbar, T = 400°C) and subsequent thermal reduction (p(4%H2/Ar) = 1 bar, T = 400°C, t = 5 h) in comparison to a sample that did not experience thermal pre-oxidation prior to the thermal reduction treatment. 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Determined by evaluation of topological data obtained by atomic force microscopy.","label":"Figure_2d_SrO_termination.xlsx","restricted":false,"directoryLabel":"Figure 2","version":1,"datasetVersionId":410,"dataFile":{"id":12871,"persistentId":"","pidURL":"","filename":"Figure_2d_SrO_termination.xlsx","contentType":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","filesize":136119,"description":"Experimental data on the properties of nanoparticles synthesized by metal exsolution under thermal reduction (p(4%H2/Ar) = 1 bar, T = 400°C, t = 5 h) at the surface of a sample with an engineered SrO-termination layer (i.e. one atomic layer in thickness). 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The space charge potential ϕ is given for different oxygen activities as a function of the distance from the perovskite surface x.","label":"Figure_3b.xlsx","restricted":false,"directoryLabel":"Figure 3","version":1,"datasetVersionId":410,"dataFile":{"id":12873,"persistentId":"","pidURL":"","filename":"Figure_3b.xlsx","contentType":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","filesize":37029,"description":"Simulated space charge potential profiles in the near-surface region of n-type STO obtained by finite-element electrostatic space charge simulations. 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Obtained by finite-element electrostatic space charge simulations.","label":"Figure_3c.xlsx","restricted":false,"directoryLabel":"Figure 3","version":1,"datasetVersionId":410,"dataFile":{"id":12875,"persistentId":"","pidURL":"","filename":"Figure_3c.xlsx","contentType":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","filesize":9734,"description":"Surface space charge potentials ϕ (x = 0) of n-type STO as a function of the oxygen activity and compared for different temperatures T = 400°C, T = 600°C, T = 800°C and T = 1000°C. 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Determined by evaluation of topological data obtained by atomic force microscopy.","label":"Figure_3d_STNNi-NbSTO.xlsx","restricted":false,"directoryLabel":"Figure 3","version":1,"datasetVersionId":410,"dataFile":{"id":12882,"persistentId":"","pidURL":"","filename":"Figure_3d_STNNi-NbSTO.xlsx","contentType":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","filesize":182763,"description":"Experimental data on the properties of nanoparticles synthesized by metal exsolution under thermal reduction at the surface of a sample with an engineered  Nb:STO top layer of four monolayers in thickness. comparing a STNNi-NbSTO stack sample after thermal pre-oxidation (p(O2) = 0.108 mbar, T = 400°C, t = 60 min) and subsequent thermal reduction (p(4%H2/Ar) = 1 bar, T = 600°C, t = 5 h) with a sample that did not experience thermal pre-oxidation prior to the thermal reduction treatment. Determined by evaluation of topological data obtained by atomic force microscopy.","storageIdentifier":"s3://juelich_data:18affe5ca45-b3d0f74668e7","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"585be793e01bea3a7acf3c0e063388234315cae3ce6c7d44f24a2a3f0e9433ae"},"creationDate":"2023-10-05"}},{"description":"Experimental data on the properties of nanoparticles synthesized by metal exsolution under thermal reduction at the surface of a sample with an engineered  STO top layer of four monolayers in thickness. comparing a STNNi-STO stack sample after thermal pre-oxidation (p(O2) = 0.108 mbar, T = 400°C, t = 60 min) and subsequent thermal reduction (p(4%H2/Ar) = 1 bar, T = 600°C, t = 5 h) with a sample that did not experience thermal pre-oxidation prior to the thermal reduction treatment. Determined by evaluation of topological data obtained by atomic force microscopy.","label":"Figure_3d_STNNi-STO.xlsx","restricted":false,"directoryLabel":"Figure 3","version":1,"datasetVersionId":410,"dataFile":{"id":12872,"persistentId":"","pidURL":"","filename":"Figure_3d_STNNi-STO.xlsx","contentType":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","filesize":262592,"description":"Experimental data on the properties of nanoparticles synthesized by metal exsolution under thermal reduction at the surface of a sample with an engineered  STO top layer of four monolayers in thickness. comparing a STNNi-STO stack sample after thermal pre-oxidation (p(O2) = 0.108 mbar, T = 400°C, t = 60 min) and subsequent thermal reduction (p(4%H2/Ar) = 1 bar, T = 600°C, t = 5 h) with a sample that did not experience thermal pre-oxidation prior to the thermal reduction treatment. Determined by evaluation of topological data obtained by atomic force microscopy.","storageIdentifier":"s3://juelich_data:18affe5ca51-b71dca57d110","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"bafdf9348389c117d5bf66e8188074f9a6f392e1786c54ba2e5f20cf2677b4be"},"creationDate":"2023-10-05"}}],"citation":"Weber, Moritz; Šmíd, Břetislav; Breuer, Uwe; Rose, Marc-André; Menzler, Norbert H.; Dittmann, Regina; Waser, Rainer; Guillon, Olivier; Gunkel, Felix; Lenser, Christian, 2023, \"Replication Data for: Space charge governs the kinetics of metal exsolution\", https://doi.org/10.26165/JUELICH-DATA/CYHXRM, Jülich DATA, V1"}}