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Issue 4, 2013
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Reducing the chemical expansion coefficient in ceria by addition of zirconia

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Abstract

For the first time, the role of isovalent Zr substitution in cerium oxide on the non-stoichiometry induced dilation (chemical expansion) was investigated. Chemical expansion was derived experimentally using HTXRD, dilatometry, and TGA measurements on Pr0.1Zr0.4Ce0.5O1.95−δ and computationally with DFT calculations on Zr0.5Ce0.5O2−δ. Though Zr was found to increase the reducibility and the corresponding chemical expansion of ceria in the studied range, the relationship between chemical expansion and non-stoichiometry (the chemical expansion coefficient) was significantly smaller (54% less) than that observed in ceria, and consistent with predictions from the authors' previous work. The origin of the reduced chemical expansion coefficient, associated with a larger contraction of the lattice around oxygen vacancies, is explained using DFT calculations and corroborated with prior investigations of enhanced reducibility of ceria–zirconia. Additionally, implications of this discovery for solid oxide fuel cells and heterogeneous catalyst systems are also discussed.

Graphical abstract: Reducing the chemical expansion coefficient in ceria by addition of zirconia

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The article was received on 28 Oct 2012, accepted on 01 Feb 2013 and first published on 01 Feb 2013


Article type: Communication
DOI: 10.1039/C3EE23917A
Citation: Energy Environ. Sci., 2013,6, 1142-1146
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    Reducing the chemical expansion coefficient in ceria by addition of zirconia

    S. R. Bishop, D. Marrocchelli, W. Fang, K. Amezawa, K. Yashiro and G. W. Watson, Energy Environ. Sci., 2013, 6, 1142
    DOI: 10.1039/C3EE23917A

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