Dutta, Gargi ; Gupta, Asha ; Waghmare, Umesh V. ; Hegdec, M. S. (2011) CO adsorption on ionic Pt, Pd and Cu sites in Ce1-xMxO2-δ (M = Pt2+, Pd2+, Cu2+) Journal of Chemical Sciences, 123 (4). pp. 509-516. ISSN 0253-4134
Full text not available from this repository.
Official URL: http://www.ias.ac.in/chemsci/Pdf-Jul2011/ABSTJUL/A...
Abstract
Noble metal ion substituted CeO2 in the form of Ce0.98M0.02O2-δ solid solution (where M=Pt, Pd, Cu) are the new generation catalysts with applications in three-way exhaust catalysis. While adsorption of CO on noble metals ions is well-known, adsorption of CO on noble metal ions has not been studied because creating exclusive ionic sites has been difficult. Using first-principles density functional theory (DFT) we have shown that CO gets adsorbed on the noble metal Pt2+, Pd2+, Cu2+ ionic sites in the respective compounds, and the net energy of the overall system decreases. Adsorption of CO on metal ions is also confirmed by Fourier transform infrared spectroscopy (FTIR).
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Indian Academy of Sciences. |
| Keywords: | Noble Metal Ion; Density Functional Theory; FTIR; Ceria |
| ID Code: | 89901 |
| Deposited On: | 02 May 2012 13:24 |
| Last Modified: | 02 May 2012 13:24 |
Repository Staff Only: item control page
