The size of dopant-rich nanodomains was assessed in four samples of Ce1−μYμO2−μ/2 through systematic pair distribution function (PDF) refinements. Experimental G(r) curves were fitted by different structural models with the aim of finding a description which balanced precise structure parameterization and reasonable number of parameters. The most reliable model was a single Y2O3-like phase, which best accommodated to the close relationship between the fluorite (CeO2-like) and C-type (Y2O3-like) structures. In this model, a refined cation coordinate, x(M2), measured the relative occurrence in the G(r) of the chemical environment of Y and Ce at any value of r. The r-value at which x(M2) vanished, i.e. at which the refined C-type cell becomes a redundant, low-symmetry description of a fluorite cell, was assumed as the size of a C-type domain. Subtle features in G(r) could be attributed to the fluorite or C-type phase up to ~500 Å thanks to the narrow instrumental resolution function of the ID31 beamline (now ID22) at the ESRF, which allows us to get high resolution PDF data.

Size and spatial correlation of defective domains in yttrium-doped CeO2 / S. Checchia, M. Scavini, M. Allieta, M. Brunelli, C. Ferrero, M. Coduri. - In: POWDER DIFFRACTION. - ISSN 0885-7156. - 30:S1(2015), pp. 119-126. [10.1017/S0885715615000135]

Size and spatial correlation of defective domains in yttrium-doped CeO2

S. Checchia
Primo
;
M. Scavini
Secondo
;
2015

Abstract

The size of dopant-rich nanodomains was assessed in four samples of Ce1−μYμO2−μ/2 through systematic pair distribution function (PDF) refinements. Experimental G(r) curves were fitted by different structural models with the aim of finding a description which balanced precise structure parameterization and reasonable number of parameters. The most reliable model was a single Y2O3-like phase, which best accommodated to the close relationship between the fluorite (CeO2-like) and C-type (Y2O3-like) structures. In this model, a refined cation coordinate, x(M2), measured the relative occurrence in the G(r) of the chemical environment of Y and Ce at any value of r. The r-value at which x(M2) vanished, i.e. at which the refined C-type cell becomes a redundant, low-symmetry description of a fluorite cell, was assumed as the size of a C-type domain. Subtle features in G(r) could be attributed to the fluorite or C-type phase up to ~500 Å thanks to the narrow instrumental resolution function of the ID31 beamline (now ID22) at the ESRF, which allows us to get high resolution PDF data.
total scattering; pair distribution function; non-stoichiometric oxides; doped ceria; defect structure
Settore CHIM/02 - Chimica Fisica
2015
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/337065
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