Understanding the relationship between dopant and ionic transport in yttria-doped ceria-zirconia

Xie, Xiaohu and Sun, Jialin and Brigden, C. T. and Farnan, Ian and Hong, Yanruo and Vasant Kumar, R. (2011) Understanding the relationship between dopant and ionic transport in yttria-doped ceria-zirconia. Journal of Materials Chemistry, 21 (26). p. 9570. DOI https://doi.org/10.1039/C1JM10884K

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Probing the underlying conduction mechanism with a reliable and detailed description is important for optimizing solid oxide electrolyte materials. Herein, an equation has been proposed for the first time to quantitatively predict the vacancy preference for a given cation in a fluorite structure. The results derived from the equation are consistent with NMR observations. By investigating the local structure and conductivity in CeO2-ZrO2-Y2O3 ternary system from both molecular dynamics simulations and experiments, we have developed a theoretical framework to elucidate the mechanism of the dopant properties on ion transport in yttria-doped ceria-zirconia system. Lower vacancy preference mismatch between the host and a dopant is found to give rise to a better homogeneity of vacancy distribution, indicated by less vacancy cluster formation thereby resulting in a higher conductivity. This comprehension concerning the dopant properties-conductivity correlation should help in the development of more effective and selective oxide electrolyte for the fuel cells and other applications.

Item Type: Article
Uncontrolled Keywords: 2011AREP; IA63;
Subjects: 03 - Mineral Sciences
Divisions: 03 - Mineral Sciences
Journal or Publication Title: Journal of Materials Chemistry
Volume: 21
Page Range: p. 9570
Identification Number: https://doi.org/10.1039/C1JM10884K
Depositing User: Sarah Humbert
Date Deposited: 19 Jul 2011 17:21
Last Modified: 23 Jul 2013 10:02
URI: http://eprints.esc.cam.ac.uk/id/eprint/2113

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