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Issue 33, 2016
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Statistical thermodynamics of non-stoichiometric ceria and ceria zirconia solid solutions

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Abstract

The thermodynamic redox properties of ceria and ceria zirconia solid solutions are analysed with a new methodology for modelling such systems based on the statistical mechanics of lattice configurations. Experimental thermogravimetric equilibrium data obtained for small non-stoichiometry measurements are combined with literature data to cover a large range of non-stoichiometry (CeO2−δ, δ = 0.001–0.32), temperature (1073–1773 K) and oxygen partial pressure (1–10−13 bar). A dilute species model of defect clusters Image ID:c6cp03158g-t1.gif, obeying the law of mass action, was sufficient to describe the system over the whole range of conditions, leading to a simple analytical equation of state for the system. This offers new physical insight into the redox properties of ceria based materials, and the theoretical methods developed should also be of great interest for other materials which exhibit continuous oxygen non-stoichiometry similar to ceria, such as perovskite oxides.

Graphical abstract: Statistical thermodynamics of non-stoichiometric ceria and ceria zirconia solid solutions

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Publication details

The article was received on 10 May 2016, accepted on 01 Aug 2016 and first published on 01 Aug 2016


Article type: Paper
DOI: 10.1039/C6CP03158G
Author version available: Download Author version (PDF)
Citation: Phys. Chem. Chem. Phys., 2016,18, 23147-23154
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    Statistical thermodynamics of non-stoichiometric ceria and ceria zirconia solid solutions

    B. Bulfin, L. Hoffmann, L. de Oliveira, N. Knoblauch, F. Call, M. Roeb, C. Sattler and M. Schmücker, Phys. Chem. Chem. Phys., 2016, 18, 23147
    DOI: 10.1039/C6CP03158G

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