Vibrational spectra of alumina- and silica-supported vanadia revisited: An experimental and theoretical model catalyst study

Norbert Magg; Boonchuan Immaraporn; Javier B. Giorgi; Thomas Schroeder; Marcus Bäumer; Jens Döbler; Zili Wu; Evgenii Kondratenko; Maymol Cherian; Manfred Baerns; Peter C. Stair; Joachim Sauer; Hans Joachim Freund

doi:10.1016/j.jcat.2004.04.021

Vibrational spectra of alumina- and silica-supported vanadia revisited: An experimental and theoretical model catalyst study

Norbert Magg, Boonchuan Immaraporn, Javier B. Giorgi, Thomas Schroeder, Marcus Bäumer, Jens Döbler, Zili Wu, Evgenii Kondratenko, Maymol Cherian, Manfred Baerns, Peter C. Stair, Joachim Sauer, Hans Joachim Freund

Surface Chemistry & Catalysis Group

Research output: Contribution to journal › Article › peer-review

251 Scopus citations

Abstract

Oxide-supported vanadia particles were prepared via evaporation of vanadium metal in an oxygen ambient. As support oxides, we have employed thin, well-ordered alumina and silica films grown on top of NiAl(110) and Mo(112) surfaces. According to our analysis, the vanadia particles exhibit very similar morphology on both supports but differ in the extent of particle-support interactions. It is shown that these differences in the vanadia-support interface region strongly affect the CO adsorption behavior of the particles. The measured vibrational spectra of the model systems are interpreted on the basis of DFT calculations for model compounds and surface models for both the vanadia/silica and the vanadia/alumina system. The combined information is then compared with Raman spectra of real catalytic materials such as vanadia supported over δ-Al₂O₃ and mesoporous SiO ₂ (MCM-41) taken at different laser wavelengths. A consistent interpretation is developed, which shows that the accepted interpretation of vibrational spectra from vanadia catalysts must be revised.

Original language	English
Pages (from-to)	88-100
Number of pages	13
Journal	Journal of Catalysis
Volume	226
Issue number	1
DOIs	https://doi.org/10.1016/j.jcat.2004.04.021
State	Published - Aug 15 2004

Funding

The authors gratefully acknowledge financial support by the Deutsche Forschungsgemeinschaft (DFG) through the Sonderforschungsbereich 546. We also thank the Athena project funded by the EPSRC of the UK and Johnson Matthey plc. and the COMBICAT/Malaysia consortium for financial support. N.M. is grateful to the Studienstiftung des deutschen Volkes for a fellowship. J.B.G. thanks the Natural Sciences and Engineering Research Council of Canada. P.C.S. is grateful to the Alexander von Humboldt Foundation.

Keywords

Alumina
Carbon monoxide
Catalysis
DFT calculation
Infrared (IR) spectroscopy
Raman spectra
Scanning tunneling microscopy (STM)
Silica
Vanadium oxide
X-ray photoelectron spectroscopy (XPS)

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Magg, N., Immaraporn, B., Giorgi, J. B., Schroeder, T., Bäumer, M., Döbler, J., Wu, Z., Kondratenko, E., Cherian, M., Baerns, M., Stair, P. C., Sauer, J., & Freund, H. J. (2004). Vibrational spectra of alumina- and silica-supported vanadia revisited: An experimental and theoretical model catalyst study. Journal of Catalysis, 226(1), 88-100. https://doi.org/10.1016/j.jcat.2004.04.021

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title = "Vibrational spectra of alumina- and silica-supported vanadia revisited: An experimental and theoretical model catalyst study",

abstract = "Oxide-supported vanadia particles were prepared via evaporation of vanadium metal in an oxygen ambient. As support oxides, we have employed thin, well-ordered alumina and silica films grown on top of NiAl(110) and Mo(112) surfaces. According to our analysis, the vanadia particles exhibit very similar morphology on both supports but differ in the extent of particle-support interactions. It is shown that these differences in the vanadia-support interface region strongly affect the CO adsorption behavior of the particles. The measured vibrational spectra of the model systems are interpreted on the basis of DFT calculations for model compounds and surface models for both the vanadia/silica and the vanadia/alumina system. The combined information is then compared with Raman spectra of real catalytic materials such as vanadia supported over δ-Al2O3 and mesoporous SiO 2 (MCM-41) taken at different laser wavelengths. A consistent interpretation is developed, which shows that the accepted interpretation of vibrational spectra from vanadia catalysts must be revised.",

keywords = "Alumina, Carbon monoxide, Catalysis, DFT calculation, Infrared (IR) spectroscopy, Raman spectra, Scanning tunneling microscopy (STM), Silica, Vanadium oxide, X-ray photoelectron spectroscopy (XPS)",

author = "Norbert Magg and Boonchuan Immaraporn and Giorgi, {Javier B.} and Thomas Schroeder and Marcus B{\"a}umer and Jens D{\"o}bler and Zili Wu and Evgenii Kondratenko and Maymol Cherian and Manfred Baerns and Stair, {Peter C.} and Joachim Sauer and Freund, {Hans Joachim}",

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doi = "10.1016/j.jcat.2004.04.021",

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Magg, N, Immaraporn, B, Giorgi, JB, Schroeder, T, Bäumer, M, Döbler, J, Wu, Z, Kondratenko, E, Cherian, M, Baerns, M, Stair, PC, Sauer, J & Freund, HJ 2004, 'Vibrational spectra of alumina- and silica-supported vanadia revisited: An experimental and theoretical model catalyst study', Journal of Catalysis, vol. 226, no. 1, pp. 88-100. https://doi.org/10.1016/j.jcat.2004.04.021

TY - JOUR

T1 - Vibrational spectra of alumina- and silica-supported vanadia revisited

T2 - An experimental and theoretical model catalyst study

AU - Magg, Norbert

AU - Immaraporn, Boonchuan

AU - Giorgi, Javier B.

AU - Schroeder, Thomas

AU - Bäumer, Marcus

AU - Döbler, Jens

AU - Wu, Zili

AU - Kondratenko, Evgenii

AU - Cherian, Maymol

AU - Baerns, Manfred

AU - Stair, Peter C.

AU - Sauer, Joachim

AU - Freund, Hans Joachim

PY - 2004/8/15

Y1 - 2004/8/15

N2 - Oxide-supported vanadia particles were prepared via evaporation of vanadium metal in an oxygen ambient. As support oxides, we have employed thin, well-ordered alumina and silica films grown on top of NiAl(110) and Mo(112) surfaces. According to our analysis, the vanadia particles exhibit very similar morphology on both supports but differ in the extent of particle-support interactions. It is shown that these differences in the vanadia-support interface region strongly affect the CO adsorption behavior of the particles. The measured vibrational spectra of the model systems are interpreted on the basis of DFT calculations for model compounds and surface models for both the vanadia/silica and the vanadia/alumina system. The combined information is then compared with Raman spectra of real catalytic materials such as vanadia supported over δ-Al2O3 and mesoporous SiO 2 (MCM-41) taken at different laser wavelengths. A consistent interpretation is developed, which shows that the accepted interpretation of vibrational spectra from vanadia catalysts must be revised.

AB - Oxide-supported vanadia particles were prepared via evaporation of vanadium metal in an oxygen ambient. As support oxides, we have employed thin, well-ordered alumina and silica films grown on top of NiAl(110) and Mo(112) surfaces. According to our analysis, the vanadia particles exhibit very similar morphology on both supports but differ in the extent of particle-support interactions. It is shown that these differences in the vanadia-support interface region strongly affect the CO adsorption behavior of the particles. The measured vibrational spectra of the model systems are interpreted on the basis of DFT calculations for model compounds and surface models for both the vanadia/silica and the vanadia/alumina system. The combined information is then compared with Raman spectra of real catalytic materials such as vanadia supported over δ-Al2O3 and mesoporous SiO 2 (MCM-41) taken at different laser wavelengths. A consistent interpretation is developed, which shows that the accepted interpretation of vibrational spectra from vanadia catalysts must be revised.

KW - Alumina

KW - Carbon monoxide

KW - Catalysis

KW - DFT calculation

KW - Infrared (IR) spectroscopy

KW - Raman spectra

KW - Scanning tunneling microscopy (STM)

KW - Silica

KW - Vanadium oxide

KW - X-ray photoelectron spectroscopy (XPS)

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SN - 0021-9517

VL - 226

SP - 88

EP - 100

JO - Journal of Catalysis

JF - Journal of Catalysis

IS - 1

ER -

Vibrational spectra of alumina- and silica-supported vanadia revisited: An experimental and theoretical model catalyst study

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