Adsorption of CO on Pd(100): Steering into less favored adsorption sites

被引:51
作者
Eichler, A
Hafner, J
机构
[1] Vienna Univ Technol, Inst Theoret Phys, A-1040 Vienna, Austria
[2] Vienna Univ Technol, Ctr Computat Mat Sci, A-1040 Vienna, Austria
来源
PHYSICAL REVIEW B | 1998年 / 57卷 / 16期
关键词
D O I
10.1103/PhysRevB.57.10110
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Molecular steering effects have been shown already in a number of cases to constitute an effective mechanism to avoid barriers and enhance sticking at low incidence energies. We present a study of the adsorption process of CO on the Pd(100) surface, where a similar mechanism leads to trapping of some of the molecules in less favorable surface sites. The electronic charge transfers and redistributions connected with this process are analyzed in detail.
引用
收藏
页码:10110 / 10114
页数:5
相关论文
共 35 条
  • [1] THEORETICAL-ANALYSIS OF THE VIBRATIONAL SHIFTS OF CO CHEMISORBED ON PD(100)
    BAGUS, PS
    PACCHIONI, G
    [J]. SURFACE SCIENCE, 1990, 236 (03) : 233 - 240
  • [2] CO adsorption and CO oxidation on Rh(100)
    Baraldi, A
    Gregoratti, L
    Comelli, G
    Dhanak, VR
    Kiskinova, M
    Rosei, R
    [J]. APPLIED SURFACE SCIENCE, 1996, 99 (01) : 1 - 8
  • [3] ADSORPTION OF CO ON PD(100)
    BEHM, RJ
    CHRISTMANN, K
    ERTL, G
    VANHOVE, MA
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (06) : 2984 - 2995
  • [4] STRUCTURE OF CO ADSORBED ON PD(100) - LEED AND HREELS ANALYSIS
    BEHM, RJ
    CHRISTMANN, K
    ERTL, G
    VANHOVE, MA
    THIEL, PA
    WEINBERG, WH
    [J]. SURFACE SCIENCE, 1979, 88 (2-3) : L59 - L66
  • [5] Domain wall superlattices in high coverage CO adlayers on Pd{100}
    Berndt, W.
    Bradshaw, A.M.
    [J]. Surface Science, 1992, 279 (1-2)
  • [6] MOLECULAR ORBITAL VIEW OF CHEMISORBED CARBON MONOXIDE
    BLYHOLDER, G
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1964, 68 (10) : 2772 - &
  • [7] CHEMISORPTION OF CARBON-MONOXIDE ON PALLADIUM SINGLE-CRYSTAL SURFACES - IR SPECTROSCOPIC EVIDENCE FOR LOCALIZED SITE ADSORPTION
    BRADSHAW, AM
    HOFFMANN, FM
    [J]. SURFACE SCIENCE, 1978, 72 (03) : 513 - 535
  • [8] The dissociation of diatomic molecules at surfaces
    Darling, GR
    Holloway, S
    [J]. REPORTS ON PROGRESS IN PHYSICS, 1995, 58 (12) : 1595 - 1672
  • [9] Molecular precursors in the dissociative adsorption of O-2 on Pt(111)
    Eichler, A
    Hafner, J
    [J]. PHYSICAL REVIEW LETTERS, 1997, 79 (22) : 4481 - 4484
  • [10] Quantum steering effects in the dissociative adsorption of H-2 on Rh(100)
    Eichler, A
    Kresse, G
    Hafner, J
    [J]. PHYSICAL REVIEW LETTERS, 1996, 77 (06) : 1119 - 1122