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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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Schlögl,  Robert
Research Department Schlögl, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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Knop-Gericke,  Axel
Research Department Schlögl, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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Citation

Türk, H., Götsch, T., Schmidt, F.-P., Hammud, A., Ivanov, D., de Haart, L. G. J. (., et al. (2022). Sr Surface Enrichment in Solid Oxide Cells - Approaching the Limits of EDX Analysis by Multivariate Statistical Analysis and Simulations. ChemCatChem, (14): e202200300, pp. 1-13. doi:10.1002/cctc.202200300.


Cite as: https://hdl.handle.net/21.11116/0000-000C-9C1C-6
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.