CO adsorption on ionic Pt, Pd and Cu sites in Ce1-xMxO2 − δ (M = Pt2+, Pd2+, Cu2+)

. Noble metal ion substituted CeO 2 in the form of Ce 0.98 M 0.02 O 2 −  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...

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Bibliographic Details
Published in:Journal of chemical sciences (Bangalore, India) India), 2011-07, Vol.123 (4), p.509-516
Main Authors: DUTTA, GARGI, GUPTA, ASHA, WAGHMARE, UMESH V, HEGDE, M S
Format: Article
Language:English
Subjects:
Chemistry
Chemistry and Materials Science
Chemistry/Food Science
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Summary:. Noble metal ion substituted CeO 2 in the form of Ce 0.98 M 0.02 O 2 −  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 Pt 2 +  , Pd 2 +  , Cu 2 +  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). Graphical Abstract The adsorption of CO on ceria, substituted with lower valent 2+ ion (Pt 2+ , Pd 2+ , CU 2+ ) has been studied by Density Functional Theory calculations. Only the substituted metal ion has been found to be the adsorption site for CO. The results for CO adsorption have been verified by Fourier Transform Infrared Spectroscopy.
ISSN:0974-3626
0973-7103
DOI:10.1007/s12039-011-0089-0