Making gold less noble

被引：611
作者：
Mavrikakis, M
Stoltze, P
Norskov, JK
机构：
[1] Univ Wisconsin, Dept Chem Engn, Madison, WI 53706 USA
[2] Aalborg Univ, Dept Chem Engn, DK-6700 Esbjerg, Denmark
[3] Tech Univ Denmark, Ctr Atom Scale Mat Phys, Dept Phys, DK-2800 Lyngby, Denmark
来源：
CATALYSIS LETTERS | 2000年 / 64卷 / 2-4期
关键词：
gold; CO oxidation; catalysis; particle-size effect; steps; DFT; supported metal clusters;
D O I：
10.1023/A:1019028229377
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Self-consistent density functional calculations for the adsorption of O and CO on flat and stepped Au(111) surfaces are used to investigate effects which may increase the reactivity of Au. We find that the adsorption energy does not depend on the number of Au layers if there are more than two layers. Steps are found to bind considerably stronger than the (111) terraces, and an expansive strain has the same effect. On this basis we suggest that the unusually large catalytic activity of highly-dispersed Au particles may in part be due to high step densities on the small particles and/or strain effects due to the mismatch at the Au-support interface.
引用
收藏
页码：101 / 106
页数：6
相关论文
共 38 条
  • [1] [Anonymous], ACS S SERIES
  • [2] ELECTRON DIFFRACTION FROM SMALL CRYSTALS
    BERRY, CR
    [J]. PHYSICAL REVIEW, 1952, 88 (03): : 596 - 599
  • [3] FTIR, UV-Vis, and HRTEM study of Au/ZrO2 catalyst:: Reduced reactivity in the CO-O2 reaction of electron-deficient gold sites present on the used samples
    Boccuzzi, F
    Cerrato, G
    Pinna, F
    Strukul, G
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 1998, 102 (30) : 5733 - 5736
  • [4] Oxygen adsorption on well-defined gold particles on TiO2(110)
    Bondzie, VA
    Parker, SC
    Campbell, CT
    [J]. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 1999, 17 (04): : 1717 - 1720
  • [5] A NEW PROCEDURE FOR PARTICLE-SIZE DETERMINATION BY EXAFS BASED ON MOLECULAR-DYNAMICS SIMULATIONS
    CLAUSEN, BS
    GRABAEK, L
    TOPSOE, H
    HANSEN, LB
    STOLTZE, P
    NORSKOV, JK
    NIELSEN, OH
    [J]. JOURNAL OF CATALYSIS, 1993, 141 (02) : 368 - 379
  • [6] DELGASS WN, COMMUNICATION
  • [7] HIGH-RESOLUTION TRANSMISSION ELECTRON-MICROSCOPY STUDY OF GOLD PARTICLES (GREATER THAN 1 NM), EPITAXIALLY GROWN ON CLEAN MGO MICROCUBES
    GIORGIO, S
    CHAPON, C
    HENRY, CR
    NIHOUL, G
    PENISSON, JM
    [J]. PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1991, 64 (01): : 87 - 96
  • [8] Preparation of supported gold catalysts for low-temperature CO oxidation via "size-controlled" gold colloids
    Grunwaldt, JD
    Kiener, C
    Wögerbauer, C
    Baiker, A
    [J]. JOURNAL OF CATALYSIS, 1999, 181 (02) : 223 - 232
  • [9] Gold/titania interfaces and their role in carbon monoxide oxidation
    Grunwaldt, JD
    Baiker, A
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 1999, 103 (06) : 1002 - 1012
  • [10] Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
    Hammer, B
    Hansen, LB
    Norskov, JK
    [J]. PHYSICAL REVIEW B, 1999, 59 (11) : 7413 - 7421
1234