Replication Data for: Space charge governs the kinetics of metal exsolution (ICPSR doi:10.26165/JUELICH-DATA/CYHXRM)

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Replication Data for: Space charge governs the kinetics of metal exsolution

doi:10.26165/JUELICH-DATA/CYHXRM

Jülich DATA

2023-11-15

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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

Replication Data for: Space charge governs the kinetics of metal exsolution

doi:10.26165/JUELICH-DATA/CYHXRM

Weber, Moritz (Forschungszentrum Jülich)

Šmíd, Břetislav (Charles University)

Breuer, Uwe (Forschungszentrum Jülich)

Rose, Marc-André (Forschungszentrum Jülich)

Menzler, Norbert H. (Forschungszentrum Jülich)

Dittmann, Regina (Forschungszentrum Jülich)

Waser, Rainer (Forschungszentrum Jülich)

Guillon, Olivier (Forschungszentrum Jülich)

Gunkel, Felix (Forschungszentrum Jülich)

Lenser, Christian (Forschungszentrum Jülich)

Jülich DATA

Weber, Moritz

Gunkel, Felix

Lenser, Christian

Weber, Moritz

2023-10-05

Chemistry, Physics, Metal exsolution, Space charge, Oxide epitaxy, Nanostructured catalysts, Nanoparticles, Solid oxide cells

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.

CC0 Waiver

10.1038/s41563-023-01743-6

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Comment_data repository.pdf

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The present document specifies the data which can be found in the repository and specifies the applied data treatement procedures.

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Figure_1b.xlsx

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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.

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Figure_1c.xlsx

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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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Figure_2a.xlsx

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Experimental XPS Ni 2p core-level spectroscopy data obtained in-situ from different sample states (different thermal oxidation / thermal reduction history and annealing times).

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Figure_2b.xlsx

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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.

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Figure_2c.xlsx

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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.

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Figure_2d_as-deposited_termination.xlsx

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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.

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Figure_2d_SrO_termination.xlsx

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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.

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Figure_3b.xlsx

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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.

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Figure_3c.xlsx

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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.

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Figure_3d_STNNi-NbSTO.xlsx

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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.

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Figure_3d_STNNi-STO.xlsx

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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.

application/vnd.openxmlformats-officedocument.spreadsheetml.sheet