{"@context":"http://schema.org","@type":"Dataset","@id":"https://doi.org/10.26165/JUELICH-DATA/CYHXRM","identifier":"https://doi.org/10.26165/JUELICH-DATA/CYHXRM","name":"Replication Data for: Space charge governs the kinetics of metal exsolution","creator":[{"name":"Weber, Moritz","affiliation":"Forschungszentrum Jülich","@id":"https://orcid.org/0000-0003-1105-2474","identifier":"https://orcid.org/0000-0003-1105-2474"},{"name":"Šmíd, Břetislav","affiliation":"Charles University"},{"name":"Breuer, Uwe","affiliation":"Forschungszentrum Jülich"},{"name":"Rose, Marc-André","affiliation":"Forschungszentrum Jülich"},{"name":"Menzler, Norbert H.","affiliation":"Forschungszentrum Jülich"},{"name":"Dittmann, Regina","affiliation":"Forschungszentrum Jülich"},{"name":"Waser, Rainer","affiliation":"Forschungszentrum Jülich"},{"name":"Guillon, Olivier","affiliation":"Forschungszentrum Jülich"},{"name":"Gunkel, Felix","affiliation":"Forschungszentrum Jülich"},{"name":"Lenser, Christian","affiliation":"Forschungszentrum Jülich"}],"author":[{"name":"Weber, Moritz","affiliation":"Forschungszentrum Jülich","@id":"https://orcid.org/0000-0003-1105-2474","identifier":"https://orcid.org/0000-0003-1105-2474"},{"name":"Šmíd, Břetislav","affiliation":"Charles University"},{"name":"Breuer, Uwe","affiliation":"Forschungszentrum Jülich"},{"name":"Rose, Marc-André","affiliation":"Forschungszentrum Jülich"},{"name":"Menzler, Norbert H.","affiliation":"Forschungszentrum Jülich"},{"name":"Dittmann, Regina","affiliation":"Forschungszentrum Jülich"},{"name":"Waser, Rainer","affiliation":"Forschungszentrum Jülich"},{"name":"Guillon, Olivier","affiliation":"Forschungszentrum Jülich"},{"name":"Gunkel, Felix","affiliation":"Forschungszentrum Jülich"},{"name":"Lenser, Christian","affiliation":"Forschungszentrum Jülich"}],"datePublished":"2023-11-15","dateModified":"2024-01-26","version":"1","description":["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."],"keywords":["Chemistry","Physics","Metal exsolution, Space charge, Oxide epitaxy, Nanostructured catalysts, Nanoparticles, Solid oxide cells"],"citation":[{"@type":"CreativeWork","text":"10.1038/s41563-023-01743-6"}],"license":{"@type":"Dataset","text":"CC0","url":"https://creativecommons.org/publicdomain/zero/1.0/"},"includedInDataCatalog":{"@type":"DataCatalog","name":"Jülich DATA","url":"https://data.fz-juelich.de"},"publisher":{"@type":"Organization","name":"Jülich DATA"},"provider":{"@type":"Organization","name":"Jülich DATA"},"distribution":[{"@type":"DataDownload","name":"Comment_data repository.pdf","fileFormat":"application/pdf","contentSize":182664,"description":"The present document specifies the data which can be found in the repository and specifies the applied data treatement procedures.","contentUrl":"https://data.fz-juelich.de/api/access/datafile/14203"},{"@type":"DataDownload","name":"Figure_1b.xlsx","fileFormat":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","contentSize":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.","contentUrl":"https://data.fz-juelich.de/api/access/datafile/12879"},{"@type":"DataDownload","name":"Figure_1c.xlsx","fileFormat":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","contentSize":37009,"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). ","contentUrl":"https://data.fz-juelich.de/api/access/datafile/12880"},{"@type":"DataDownload","name":"Figure_2a.xlsx","fileFormat":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","contentSize":186096,"description":"Experimental XPS Ni 2p core-level spectroscopy data obtained in-situ from different sample states (different thermal oxidation / thermal reduction history and annealing times).","contentUrl":"https://data.fz-juelich.de/api/access/datafile/12876"},{"@type":"DataDownload","name":"Figure_2b.xlsx","fileFormat":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","contentSize":10295,"description":"Experimentally determined intenisty ratios for the metal and oxide Ni 2p states as a function of the thermal oxidation / thermal reduction history and annealing time. ","contentUrl":"https://data.fz-juelich.de/api/access/datafile/12877"},{"@type":"DataDownload","name":"Figure_2c.xlsx","fileFormat":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","contentSize":88597,"description":"Experimentally determined 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 as well as spectroscopy data for representative XPS core-level spectra. ","contentUrl":"https://data.fz-juelich.de/api/access/datafile/12881"},{"@type":"DataDownload","name":"Figure_2d_as-deposited_termination.xlsx","fileFormat":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","contentSize":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. Determined by evaluation of topological data obtained by atomic force microscopy from samples of native surface termination.","contentUrl":"https://data.fz-juelich.de/api/access/datafile/12874"},{"@type":"DataDownload","name":"Figure_2d_SrO_termination.xlsx","fileFormat":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","contentSize":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). Determined by evaluation of topological data obtained by atomic force microscopy.","contentUrl":"https://data.fz-juelich.de/api/access/datafile/12871"},{"@type":"DataDownload","name":"Figure_3b.xlsx","fileFormat":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","contentSize":37029,"description":"Simulated space charge potential profiles in the near-surface region of n-type STO obtained by finite-element electrostatic space charge simulations. The space charge potential ϕ is given for different oxygen activities as a function of the distance from the perovskite surface x.","contentUrl":"https://data.fz-juelich.de/api/access/datafile/12873"},{"@type":"DataDownload","name":"Figure_3c.xlsx","fileFormat":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","contentSize":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. Obtained by finite-element electrostatic space charge simulations.","contentUrl":"https://data.fz-juelich.de/api/access/datafile/12875"},{"@type":"DataDownload","name":"Figure_3d_STNNi-NbSTO.xlsx","fileFormat":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","contentSize":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.","contentUrl":"https://data.fz-juelich.de/api/access/datafile/12882"},{"@type":"DataDownload","name":"Figure_3d_STNNi-STO.xlsx","fileFormat":"application/vnd.openxmlformats-officedocument.spreadsheetml.sheet","contentSize":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.","contentUrl":"https://data.fz-juelich.de/api/access/datafile/12872"}]}