2015年
Correlation between the surface electronic structure and CO-oxidation activity of Pt alloys
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- 巻
- 17
- 号
- 7
- 開始ページ
- 4879
- 終了ページ
- 4887
- 記述言語
- 英語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.1039/c4cp03406f
- 出版者・発行元
- ROYAL SOC CHEMISTRY
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 < Pt(3)hHf < 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 volcanotype 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.
- リンク情報
- ID情報
-
- DOI : 10.1039/c4cp03406f
- ISSN : 1463-9076
- eISSN : 1463-9084
- PubMed ID : 25271906
- Web of Science ID : WOS:000349616400009