淡江大學機構典藏:Item 987654321/27562
English  |  正體中文  |  简体中文  |  Items with full text/Total items : 62819/95882 (66%)
Visitors : 4005685      Online Users : 423
RC Version 7.0 © Powered By DSPACE, MIT. Enhanced by NTU Library & TKU Library IR team.
Scope Tips:
  • please add "double quotation mark" for query phrases to get precise results
  • please goto advance search for comprehansive author search
    •  Adv. Search
    Home ‧ Login ‧ Upload ‧ Help ‧ About ‧ Administer Goto mobile version


    Please use this identifier to cite or link to this item: https://tkuir.lib.tku.edu.tw/dspace/handle/987654321/27562


    Title: A density functional theory study of carbon monoxide oxidation on the Cu3Pt(111) alloy surface : Comparison with the reactions on Pt(111) and Cu(111)
    Authors: Zhang, C. J.;Baxter, R. J.;Hu, P.;Alavi, A.;李明憲;Lee, M. H.
    Contributors: 淡江大學物理學系
    Date: 2001-09-15
    Issue Date: 2009-12-31 10:24:27 (UTC+8)
    Publisher: American Institute of Physics (AIP)
    Abstract: Alloying metals is often used as an effective way to enhance the reactivity of surfaces. Aiming to shed light on the effect of alloying on reaction mechanisms, we carry out a comparative study of CO oxidation on Cu3Pt~111!, Pt~111!, and Cu~111! by means of density functional theory calculations.
    Alloying effects on the bonding sites and bonding energies of adsorbates, and the reaction pathways are investigated. It is shown that CO preferentially adsorbs on an atop site of Pt and O preferentially adsorbs on a fcc hollow site of three Cu atoms on Cu3Pt~111!. It is also found that the adsorption energies of CO ~or Oa) decreases on Pt ~or Cu! on the alloy surface with respect to those on pure metals. More importantly, having identified the transition states for CO oxidation on those three surfaces, we found an interesting trend for the reaction barrier on the three surfaces. Similar to the adsorption energies, the reaction barrier on Cu3Pt possesses an intermediate value of those on pure Pt and Cu metals. The physical origin of these results has been analyzed in detail.
    Relation: Journal of chemical physics 115(11), pp.5272-5277
    DOI: 10.1063/1.1395626
    Appears in Collections:[Graduate Institute & Department of Physics] Journal Article

    Files in This Item:

    File Description SizeFormat
    0021-9606_115(11)p5272-5277.pdf537KbAdobe PDF823View/Open
    index.html0KbHTML210View/Open

    All items in 機構典藏 are protected by copyright, with all rights reserved.

    DSpace Software Copyright © 2002-2004  MIT &  Hewlett-Packard  /   Enhanced by   NTU Library & TKU Library IR teams. Copyright ©   - Feedback