OC46 Combining DRIFT and DFT to characterize NOx species on Ag/α-Al2O3

Wednesday, June 8, 2011: 4:10 PM
Cartier Ballroom (Detroit Marriott Hotel at the Renaissance Center )
Hanna H. Ingelsten Sr.1, Anders Hellman Sr.2, Hannes Kannisto1 and Henrik Grönbeck3, (1)Chemical and Biological Engineering, Competence Centre for Catalysis, Chalmers University of Technology, Gothenburg, Sweden, (2)Competence Centre for Catalysis and Applied Physics, Chalmers University of Technology, Göteborg, Sweden, (3)Competence Centre for Catalysis and Department of Applied Physics, Chalmers University of Technology, Göteborg, Sweden
Adsorption of NOx species on a-alumina and Ag/a-alumina has been investigated by in-situ DRIFTS and DFT calculations. The measured IR spectra show broad features, assigned to different NOx surface species and the calculations show that different Ag cluster sizes and different surface terminations influence the positions of the vibrational modes.

Extended Abstracts: