Tight-binding model of CO adsorption at Pt/Ni(111) surface

被引：9
|
作者：
Pick, S
机构：
[1] J. Heyrovsky Inst. of Phys. Chem., Acad. of Sci. of the Czech Republic, CZ-182 23 Prague 8
来源：
SURFACE SCIENCE | 1996年 / 352卷
关键词：
carbon monoxide; catalysis; chemisorption; metal-metal nonmagnetic thin firn structures; nickel; platinum; semi-empirical models and model calculations;
D O I：
10.1016/0039-6028(95)01151-X
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：
Chemisorption of CO on Pt overlayer deposited on Ni(111) is studied within a semi-empirical self-consistent tight-binding method. It is argued that the chemisorption energy is lower than at Pt(111) mainly due to the possible overlayer compression. The result has bearing also on the (111) surface of PtNi alloys. Surface core-level shifts are evaluated within the initial-state picture. The previously found correlation between core-level shifts and the chemisorption-enegy variation is again confirmed in situations when the changes are significant. Trends in additional core-level shifts induced by the admolecule are mentioned.
引用
收藏
页码：300 / 304
页数：5
相关论文
共 50 条
  • [1] A TIGHT-BINDING STUDY OF HYDROGEN CHEMISORPTION ON PT-7/NI(111) AND PT/NI(111) SYSTEMS
    PICK, S
    MIKUSIK, P
    DEMANGEAT, C
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 1995, 7 (14) : 2673 - 2685
  • [2] TIGHT-BINDING THEORY OF CHEMISORPTION - CO ON NI(100) AND (111)
    BULLETT, DW
    COHEN, ML
    [J]. SOLID STATE COMMUNICATIONS, 1977, 21 (02) : 157 - 160
  • [3] Tight-binding calculation of growth mechanism of graphene on Ni(111) surface
    Zhou, Chen
    Hu, Jing
    Tian, Yuan
    Zhao, Qian-Ying
    Miu, Ling
    Jiang, Jian-Jun
    [J]. JOURNAL OF ATOMIC AND MOLECULAR SCIENCES, 2012, 3 (03): : 270 - 278
  • [4] TIGHT-BINDING STUDY OF THE ADSORPTION OF HYDROGEN ON PT, AU AND PT-AU (111) SURFACES
    CASALONE, G
    TANTARDINI, GF
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1990, 86 (22): : 3793 - 3795
  • [5] TIGHT-BINDING CALCULATIONS OF SURFACE STATES OF SI(111)
    PANDEY, KC
    PHILLIPS, JC
    [J]. BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1974, 19 (03): : 214 - 214
  • [6] TIGHT-BINDING CALCULATIONS OF SURFACE STATES OF SI(111)
    PANDEY, KC
    PHILLIPS, JC
    [J]. SOLID STATE COMMUNICATIONS, 1974, 14 (06) : 439 - 441
  • [7] A tight-binding study of the electronic structure of Pt3Ti(111) and chemisorbed CO
    Pick, S
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 1997, 9 (01) : 141 - 148
  • [8] Electronic band structure of the Pt(111) surface: An ab initio and tight-binding study - I
    Herrera-Suarez, H. J.
    Rubio-Ponce, A.
    Olguin, D.
    [J]. COMPUTATIONAL MATERIALS SCIENCE, 2012, 56 : 141 - 146
  • [9] Theoretical study of CO adsorption on Ni(111), Pt(111) and Pt/Ni(111) surfaces
    Cabeza, GF
    Castellani, NJ
    Légaré, P
    [J]. SURFACE REVIEW AND LETTERS, 1999, 6 (3-4) : 369 - 381
  • [10] Relativistic tight-binding model: Application to Pt surfaces
    Tchernatinsky, A.
    Halley, J. W.
    [J]. PHYSICAL REVIEW B, 2011, 83 (20)
12345