English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Analysis of silica-supported vanadia by X-ray absorption spectroscopy: Combined theoretical and experimental studies

Cavalleri, M., Hermann, K., Knop-Gericke, A., Hävecker, M., Herbert, R., Hess, C., et al. (2009). Analysis of silica-supported vanadia by X-ray absorption spectroscopy: Combined theoretical and experimental studies. Journal of Catalysis, 262(2), 215-223. doi:10.1016/j.jcat.2008.12.013.

Item is

Files

show Files
hide Files
:
400269Cavalleri JCatal 262 2009 215-223.pdf (Preprint), 746KB
Name:
400269Cavalleri JCatal 262 2009 215-223.pdf
Description:
-
Visibility:
Public
MIME-Type / Checksum:
application/pdf / [MD5]
Technical Metadata:
Copyright Date:
-
Copyright Info:
-
License:
-
:
736251CTA.pdf (Copyright transfer agreement), 317KB
 
File Permalink:
-
Name:
736251CTA.pdf
Description:
-
Visibility:
Private
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
-
Copyright Info:
-
License:
-
:
736251.pdf (Correspondence), 350KB
 
File Permalink:
-
Name:
736251.pdf
Description:
-
Visibility:
Private
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
-
Copyright Info:
-
License:
-

Locators

show

Creators

show
hide
 Creators:
Cavalleri, Matteo1, Author              
Hermann, Klaus1, Author              
Knop-Gericke, Axel2, Author              
Hävecker, Michael2, Author              
Herbert, R.2, Author              
Hess, Christian2, Author              
Oestereich, Andreas2, Author              
Döbler, J., Author
Schlögl, Robert2, Author              
Affiliations:
1Theory, Fritz Haber Institute, Max Planck Society, ou_634547              
2Inorganic Chemistry, Fritz Haber Institute, Max Planck Society, ou_24023              

Content

show
hide
Free keywords: Vanadia catalysts; SBA-15 silica; NEXAFS; DFT; Cluster models XAS on supported vanadium
 Abstract: In this study we combine density-functional theory (DFT) calculations on oxygen core excitations in vanadia-silica model clusters with in situ X-ray absorption fine structure (NEXAFS) measurements near the oxygen K-edge of vanadia model catalysts supported by silica SBA-15 in order to analyze structural details of the vanadia species. The silica support is found to contribute to the NEXAFS spectrum in an energy range well above that of the vanadium oxide units allowing a clear separation between the corresponding contributions. Further, differently coordinated oxygen which is characteristic for particular vanadia species, monomeric or non-monomeric, can be identified in the theoretical spectra consistent with the oxygen K-edge NEXAFS measurements. The comparison of the theoretical and experimental NEXAFS spectra provides clear evidence that under in situ conditions different molecular vanadia species, in particular non-monomeric VxOy, exist at the catalyst surface and the exclusive presence of monomeric vanadia groups can be ruled out. The present analysis goes beyond earlier work applying vibrational spectroscopy to the present systems where, as a result of extended vibrational coupling, a separation between vanadia, silica, and interface contributions was less successful.

Details

show
hide
Language(s): eng - English
 Dates: 2009-03-10
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1016/j.jcat.2008.12.013
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Journal of Catalysis
  Alternative Title : J. Catal.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: -
Pages: - Volume / Issue: 262 (2) Sequence Number: - Start / End Page: 215 - 223 Identifier: -