Sr Surface Enrichment in Solid Oxide Cells – Approaching the Limits of EDX 
Analysis by Multivariate Statistical Analysis and Simulations

Türk, Hanna; Götsch, Thomas; Schmidt, Franz; Hammud, Adnan; Ivanov, Danail; J. L. G., (Bert) de Haart; Vinke, Izaak C.; Eichel, Rüdiger-A.; Schlögl, Robert; Reuter, Karsten; Knop-Gericke, Axel; Lunkenbein, Thomas; Scheurer, Christoph

doi:10.1002/cctc.202200300

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Sr Surface Enrichment in Solid Oxide Cells – Approaching the Limits of EDX Analysis by Multivariate Statistical Analysis and Simulations

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Türk, Hanna
Theory, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons230432

Götsch, Thomas
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons232526

Schmidt, Franz
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons188971

Hammud, Adnan
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons188969

Ivanov, Danail
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons22071

Schlögl, Robert
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons22000

Reuter, Karsten
Theory, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21743

Knop-Gericke, Axel
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons41515

Lunkenbein, Thomas
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons260321

Scheurer, Christoph
Theory, Fritz Haber Institute, Max Planck Society;

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Citation

Türk, H., Götsch, T., Schmidt, F., Hammud, A., Ivanov, D., J. L. G., (. d. H., et al. (2022). Sr Surface Enrichment in Solid Oxide Cells – Approaching the Limits of EDX Analysis by Multivariate Statistical Analysis and Simulations. ChemCatChem, 14(19): e202200300. doi:10.1002/cctc.202200300.

Cite as: https://hdl.handle.net/21.11116/0000-000A-DFC3-F

Abstract

In solid oxide cells, Sr segregation has been correlated with degradation. Yet, the atomistic mechanism remains unknown. Here we begin to localize the origin of Sr surface nucleation by combining force field based simulations, energy dispersive X-ray spectroscopy (EDX), and multi-variate statistical analysis. We find increased ion mobility in the complexion between yttria-stabilized zirconia and strontium-doped lanthanum manganite. Furthermore, we developed a robust and automated routine to detect localized nucleation seeds of Sr at the complexion surface. This hints at a mechanism originating at the complexion and requires in-depth studies at the atomistic level, where the developed routine can be beneficial for analyzing large hyperspectral EDX datasets.