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Issue 26, 2011
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Understanding the relationship between dopant and ionic transport in yttria-doped ceria-zirconia

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Abstract

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.

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

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Publication details

The article was received on 01 Mar 2011, accepted on 13 Apr 2011 and first published on 01 Jun 2011


Article type: Paper
DOI: 10.1039/C1JM10884K
Citation: J. Mater. Chem., 2011,21, 9570-9575
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    Understanding the relationship between dopant and ionic transport in yttria-doped ceria-zirconia

    X. Xie, J. Sun, C. Brigden, I. Farnan, Y. Hong and R. Vasant Kumar, J. Mater. Chem., 2011, 21, 9570
    DOI: 10.1039/C1JM10884K

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