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How space-charge behaviour at grain boundaries in electroceramic oxides is modified by two restricted equilibria

Usler, Adrian L. ; Ketter, Fabian ; De Souza, Roger A. (2024)
How space-charge behaviour at grain boundaries in electroceramic oxides is modified by two restricted equilibria.
In: Physical Chemistry Chemical Physics
doi: 10.1039/d3cp05870k
Artikel, Bibliographie

Kurzbeschreibung (Abstract)

Determining the space-charge potential at grain boundaries in oxides by various experimental methods bears the promise of providing a comprehensive, quantitative description of interfacial defect chemistry. In this study, we draw attention to the problem of unifying data measured in different temperature ranges. We focus on unifying data from elevated-temperature electrical methods, such as impedance spectroscopy and current–voltage measurements, with data from room-temperature imaging techniques, such as Scanning Probe Microscopy (SPM), Transmission Electron Microscopy (TEM), and Atom Probe Tomography (APT). By means of continuum simulations, we calculate the space-charge potential Φ0 at grain boundaries in the model electroceramic oxide acceptor-doped SrTiO3, taking into account, first, a restricted equilibrium that leads to frozen-in acceptor-dopant profiles, and subsequently, a restricted equilibrium that leads to frozen-in bulk oxygen-vacancy concentrations. Our results indicate non-trivial differences between experimental values of Φ0 obtained from electrical and from imaging methods, differences that arise from the different measurement temperatures and that are aggravated by the restricted equilibria. We also show that grain-boundary widths determined from elemental acceptor-cation profiles will not, on principle, agree with the electrical width extracted from impedance spectroscopy data.

Typ des Eintrags: Artikel
Erschienen: 2024
Autor(en): Usler, Adrian L. ; Ketter, Fabian ; De Souza, Roger A.
Art des Eintrags: Bibliographie
Titel: How space-charge behaviour at grain boundaries in electroceramic oxides is modified by two restricted equilibria
Sprache: Englisch
Publikationsjahr: 2024
Verlag: Royal Society of Chemistry
Titel der Zeitschrift, Zeitung oder Schriftenreihe: Physical Chemistry Chemical Physics
DOI: 10.1039/d3cp05870k
URL / URN: https://pubs.rsc.org/en/content/articlelanding/2024/cp/d3cp0...
Kurzbeschreibung (Abstract):

Determining the space-charge potential at grain boundaries in oxides by various experimental methods bears the promise of providing a comprehensive, quantitative description of interfacial defect chemistry. In this study, we draw attention to the problem of unifying data measured in different temperature ranges. We focus on unifying data from elevated-temperature electrical methods, such as impedance spectroscopy and current–voltage measurements, with data from room-temperature imaging techniques, such as Scanning Probe Microscopy (SPM), Transmission Electron Microscopy (TEM), and Atom Probe Tomography (APT). By means of continuum simulations, we calculate the space-charge potential Φ0 at grain boundaries in the model electroceramic oxide acceptor-doped SrTiO3, taking into account, first, a restricted equilibrium that leads to frozen-in acceptor-dopant profiles, and subsequently, a restricted equilibrium that leads to frozen-in bulk oxygen-vacancy concentrations. Our results indicate non-trivial differences between experimental values of Φ0 obtained from electrical and from imaging methods, differences that arise from the different measurement temperatures and that are aggravated by the restricted equilibria. We also show that grain-boundary widths determined from elemental acceptor-cation profiles will not, on principle, agree with the electrical width extracted from impedance spectroscopy data.

Fachbereich(e)/-gebiet(e): 11 Fachbereich Material- und Geowissenschaften
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Elektronenstruktur von Materialien
DFG-Sonderforschungsbereiche (inkl. Transregio)
DFG-Sonderforschungsbereiche (inkl. Transregio) > Sonderforschungsbereiche
DFG-Sonderforschungsbereiche (inkl. Transregio) > Sonderforschungsbereiche > SFB 1548: FLAIR – Fermi Level Engineering Applied to Oxide Electroceramics
LOEWE
LOEWE > LOEWE-Schwerpunkte
LOEWE > LOEWE-Schwerpunkte > FLAME - Fermi Level Engineering Antiferroelektrischer Materialien für Energiespeicher und Isolatoren
Forschungsfelder
Forschungsfelder > Matter and Materials
Hinterlegungsdatum: 28 Feb 2024 06:19
Letzte Änderung: 28 Feb 2024 06:19
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