English  |  正體中文  |  简体中文  |  Items with full text/Total items : 49378/84106 (59%)
Visitors : 7371291      Online Users : 55
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
    HomeLoginUploadHelpAboutAdminister Goto mobile version
    Please use this identifier to cite or link to this item: http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/27919


    Title: A density functional theory study on the interaction between chemisorbed CO and S on Rh(111)
    Authors: Zhang, C. J.;Hu, P.;李明憲;Lee, M. H.
    Contributors: 淡江大學物理學系
    Keywords: Carbon monoxide;Density functional calculations;Poisoning effects;Rhodium;Sulfu
    Date: 1999-07-20
    Issue Date: 2009-12-31 10:52:29 (UTC+8)
    Publisher: Elsevier
    Abstract: Density functional theory calculations are carried out for Rh(111)-p(2×2)-CO, Rh(111)-p(2×2)-S, Rh(111)-p(2×2)-(S+CO), Rh(111)-p(3×3)-CO, Rh(111)-p(3×3)-S and Rh(111)-p(3×3)-(S+CO), aiming to shed some light on the S poisoning effect. Geometrical structures of these systems are optimized and chemisorption energies are determined. The presence of S does not significantly influence the geometrical structure and chemisorption energy of CO and vice versa, which strongly suggests that the interaction between CO and S on the Rh(111) surface is mainly short-range in nature. The long range electronic effect for the dramatic attenuation of the CO methanation activity by sulfur is likely to be incorrect. It is suggested that an ensemble effect may be dominant in the catalytic deactivation.
    Relation: Surface Science 432(3), pp.305-315
    DOI: 10.1016/S0039-6028(99)00604-4
    Appears in Collections:[物理學系暨研究所] 期刊論文

    Files in This Item:

    File Description SizeFormat
    0KbUnknown379View/Open
    index.html0KbHTML77View/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