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Issue 10, 2011
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The origin of the enhanced oxygen storage capacity of Ce1−x(Pd/Pt)xO2

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Abstract

Doping CeO2 with Pd or Pt increases the oxygen storage capacity (OSC) and catalytic activity of this environmentally important material. To date, however, an understanding of the mechanism underlying this improvement has been lacking. We present a density functional theory analysis of Pd- and Pt-doped CeO2, and demonstrate that the increased OSC is due to a large displacement of the dopant ions from the Ce lattice site. Pd(II)/Pt(II) (in a d8 configuration) moves by ∼1.2 Å to adopt a square-planar coordination due to crystal field effects. This leaves three three-coordinate oxygen atoms that are easier to remove, and which are the source of the increased OSC. These results highlight the importance of rationalizing the preferred coordination environments of both dopants and host cations when choosing suitable dopants for next generation catalysts.

Graphical abstract: The origin of the enhanced oxygen storage capacity of Ce1−x(Pd/Pt)xO2

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Article information


Submitted
29 Aug 2010
Accepted
17 Nov 2010
First published
19 Jan 2011

Phys. Chem. Chem. Phys., 2011,13, 4279-4284
Article type
Paper

The origin of the enhanced oxygen storage capacity of Ce1−x(Pd/Pt)xO2

D. O. Scanlon, B. J. Morgan and G. W. Watson, Phys. Chem. Chem. Phys., 2011, 13, 4279
DOI: 10.1039/C0CP01635G

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