Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 115, Issue 41, Pages 11187-11192Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp203276g
Keywords
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Funding
- German Research Foundation (Center of Colloborative Research) [546]
- FELIX
- Fund for Scientific Research - Flanders (FWO)
- K.U.Leuven Research Council
- European Community [226716]
- Alexander von Humboldt Foundation
- Agency for Innovation by Science and Technology in Flanders (IWT)
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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.
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