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
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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 |
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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 |
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