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Issue 7, 2015
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Correlation between the surface electronic structure and CO-oxidation activity of Pt alloys

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Abstract

The surface electronic structure and CO-oxidation activity of Pt and Pt alloys, Pt3T (T = Ti, Hf, Ta, Pt), were investigated. At temperatures below 538 K, the CO-oxidation activities of Pt and Pt3T increased in the order Pt < Pt3Ti < Pt3hHf < Pt3Ta. The center-of-gravity of the Pt d-band (the d-band center) of Pt and Pt3T was theoretically calculated to follow the trend Pt3Ti < Pt3Ta < Pt3Hf < Pt. The CO-oxidation activity showed a volcano-type dependence on the d-band center, where Pt3Ta exhibited a maximum in activity. Theoretical calculations demonstrated that the adsorption energy of CO on the catalyst surface monotonically decreases with the lowering of the d-band center because of diminished hybridization of the surface d-band and the lowest-unoccupied molecular orbital (LUMO) of CO. The observed volcano-type correlation between the d-band center and the CO oxidation activity is rationalized in terms of the CO adsorption energy, which counterbalances the surface coverage by CO and the rate of CO oxidation.

Graphical abstract: Correlation between the surface electronic structure and CO-oxidation activity of Pt alloys

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Publication details

The article was received on 31 Jul 2014, accepted on 11 Sep 2014 and first published on 17 Sep 2014


Article type: Paper
DOI: 10.1039/C4CP03406F
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Citation: Phys. Chem. Chem. Phys., 2015,17, 4879-4887
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    Correlation between the surface electronic structure and CO-oxidation activity of Pt alloys

    H. Abe, H. Yoshikawa, N. Umezawa, Y. Xu, G. Saravanan, G. V. Ramesh, T. Tanabe, R. Kodiyath, S. Ueda, N. Sekido, Y. Yamabe-Mitarai, M. Shimoda, T. Ohno, F. Matsumoto and T. Komatsu, Phys. Chem. Chem. Phys., 2015, 17, 4879
    DOI: 10.1039/C4CP03406F

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