| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1233839 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2008 | 6 Pages |
Abstract
Molecular structures and vibrational spectra of the CO species adsorbed on the Pt/TiO2, Pt/CeO2 and FeOx/Pt/CeO2 have been investigated by means of density functional theory (DFT) calculation and diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). The geometrical structures and vibrational frequencies were obtained at the MPW1PW91/SDD level. Theoretical calculation shows that the calculated IR spectra were in good agreement with the experimental results. The calculated results clarify the assignment of the adsorbed CO species on the surface of Pt/TiO2, Pt/CeO2 and FeOx/Pt/CeO2.
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Authors
Hongwei Gao, Wenqing Xu, Hong He, Xiaoyan Shi, Xiuli Zhang, Ken-ichi Tanaka,