Title: Electron Distribution in Partially Reduced Mixed Metal Oxide Systems: Infrared Spectroscopy of CemVnOo+ Gas-Phase Clusters
Authors: Jiang, Ling
Wende, Torsten
Claes, Pieterjan
Bhattacharyya, Soumen
Sierka, Marek
Meijer, Gerard
Lievens, Peter
Sauer, Joachim
Asmis, Knut R # ×
Issue Date: Oct-2011
Publisher: American Chemical Society
Series Title: Journal of Physical Chemistry A vol:115 issue:41 pages:11187-11192
Abstract: Vibrational predissociation spectra of rare-gas-tagged [(CeO2)(VO2)(1-2)](+) and [(Ce2O3)(VO2)](+) clusters are measured in the 400-1200 cm(-1) region. Density functional theory (DFT) is used to determine the geometric and electronic structure of low-energy isomers of the partially reduced dusters. Comparison of experimental and simulated spectra provides evidence for the larger stability of Ce+3/V+5 compared to that of Ce+4/V+4, which confirms that the exceptionally high reducibility of Ce+4 accounts for the promoting role of ceria in supported vanadium oxide catalysts.
ISSN: 1089-5639
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Solid State Physics and Magnetism Section
× corresponding author
# (joint) last author

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