Journal
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
Volume 40, Issue 6, Pages 2404-2416Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.jeurceramsoc.2019.12.055
Keywords
Acceptor doped ceria; Ionic conductivity; Space charge layers; Modeling; Multiscale model
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Funding
- Research Foundation - Flanders (FWO)
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The ionic conductivity of acceptor doped ceria is strongly influenced by grain boundaries and interfaces, with most experiments showing a conductivity decrease in these regions. Classical models explain this observation by the formation of space charge layers, that are depleted of mobile ionic charge carriers. However, some experiments demonstrate an increase in ionic conductivity and recent models show that the space charge layers can also be enriched in mobile ionic species. Because of these discrepancies, it is still not certain whether nanocrystalline or thin film ceria can offer superior ionic conductivity or not. Recently, we have demonstrated by means of Monte Carlo simulations that the ionic conductivity in space charge layers can indeed exceed the bulk value. In this work, we combine these Monte Carlo simulations with a continuum model to predict charge carrier concentration profiles. This multiscale approach allows for a realistic prediction of the grain boundary ionic conductivity.
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