THEORETICAL-STUDY ABOUT THE ADSORPTION OF LEAD ON (111), (100), (110) MONOCRYSTALLINE SURFACES OF GOLD

被引：6
|
作者：
ROJAS, MI
DASSIE, SA
LEIVA, EPM
机构：
[1] Unid. Doc. de Matemáticas, INFIQC Fac. Cs. Qcas. UNC, RA-5016 Córdoba, C. C. 61
来源：
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS | 1994年 / 185卷
关键词：
UNDERPOTENTIAL DEPOSITION; ADSORPTION; SINGLE CRYSTAL SURFACES; SEMIEMPIRICAL CALCULATION;
D O I：
10.1524/zpch.1994.185.Part_1.033
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：
The adsorption of a single lead atom on the three main single crystal surfaces of gold is theoretically studied, and the minimal energy position for the adsorbate is determined in all cases. The calculations are performed using the extended Huckel method including core repulsions, and the substrate is represented in the cluster approximation. The adsorption is found to take place on a hollow site for the three faces, the 111 face showing also an alternative on atop adsorption site. The stability of the adsorbed atom is found to increase in the order (111) < (100) < (110). The theoretical results for the adsorption energy are compared with experimental data.
引用
收藏
页码：33 / 50
页数：18
相关论文
共 50 条
  • [1] ADSORPTION OF TIN ON THE (111) AND (100) SILICON AND GERMANIUM SURFACES - A THEORETICAL-STUDY
    TOSCANO, M
    RUSSO, N
    JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 1990, 8 (03): : 2000 - 2003
  • [2] THEORETICAL-STUDY OF THE BINDING-ENERGY AND BONDING OF BENZENE TO THE NI (111), (100), AND (110) SURFACES
    GRIMM, FA
    HUNTLEY, DR
    JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (15): : 3800 - 3805
  • [3] ADSORPTION MODES OF ACETONITRILE ON NI(111), NI(100), AND NI(110) - A SEMIEMPIRICAL THEORETICAL-STUDY
    BIGOT, B
    DELBECQ, F
    PEUCH, VH
    LANGMUIR, 1995, 11 (10) : 3828 - 3844
  • [4] PYRIDINE ADSORPTION ON ELECTRODES OF MONOCRYSTALLINE GOLD OF ORIENTATIONS [111] AND [110]
    HAMELIN, A
    VALETTE, G
    COMPTES RENDUS HEBDOMADAIRES DES SEANCES DE L ACADEMIE DES SCIENCES SERIE C, 1968, 267 (02): : 127 - &
  • [5] FACTORS DETERMINING CO ADSORPTION SITES ON PD AND PT(100) AND PT(111) SURFACES - THEORETICAL-STUDY
    ANDERSON, AB
    AWAD, MK
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (26) : 7854 - 7857
  • [6] A THEORETICAL-STUDY OF CHX CHEMISORPTION ON THE NI(100) AND NI(111) SURFACES
    SIEGBAHN, PEM
    PANAS, I
    SURFACE SCIENCE, 1990, 240 (1-3) : 37 - 49
  • [7] THEORETICAL-STUDY OF OXYGEN-CHEMISORPTION ON (111) AND (100) SILICON SURFACES
    RUSSO, N
    TOSCANO, M
    BARONE, V
    LELJ, F
    PHYSICS LETTERS A, 1985, 113 (06) : 321 - 324
  • [8] Theoretical study of oxygen adsorption at the Fe(110) and (100) surfaces
    Blonski, P
    Kiejna, A
    Hafner, J
    SURFACE SCIENCE, 2005, 590 (01) : 88 - 100
  • [9] THE ADSORPTION OF HYDROGEN ON PD(100) AND RH(100) SURFACES - A COMPARATIVE THEORETICAL-STUDY
    HENNIG, D
    WILKE, S
    LOBER, R
    METHFESSEL, M
    SURFACE SCIENCE, 1993, 287 : 89 - 93
  • [10] Theoretical study of NO adsorption/dissociation on Pd (100) and (111) surfaces
    Jia, Xiang Feng
    Yu, Shuai Qin
    Wang, Ze Xin
    Ma, Yongshan
    SURFACE AND INTERFACE ANALYSIS, 2008, 40 (10) : 1350 - 1355
12345