The origin of the enhanced oxygen storage capacity of Ce1-x(Pd/Pt)(x)O-2
Citation:
Scanlon, DO, Morgan, BJ, Watson, GW, The origin of the enhanced oxygen storage capacity of Ce1-x(Pd/Pt)(x)O-2, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13, 2011Download Item:
Abstract:
Doping CeO
2
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 CeO
2
, 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
d
8
configuration)
moves by
B
1.2 A
?
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
Sponsor
Grant Number
SFI
09/RFP/MTR2274
SFI
08/RFP/MTR1044
Author's Homepage:
http://people.tcd.ie/watsongDescription:
PUBLISHED
Author: WATSON, GRAEME WILLIAM
Type of material:
Journal ArticleCollections
Series/Report no:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS;13;
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dopantsMetadata
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