Simulation study of Pd submonolayer films on Au(hkl) and Pt(hkl) and their relationship to underpotential deposition

被引:23
作者
Rojas, MI [1 ]
Del Pópolo, MG [1 ]
Leiva, EPM [1 ]
机构
[1] Univ Nacl Cordoba, Fac Ciencias Quim, Unidad Matemat & Fis, INFIQC, RA-5000 Cordoba, Argentina
关键词
D O I
10.1021/la990731g
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The structure and stability of palladium adlayers on Au(hkl) and Pt(hkl) were studied at different coverage degrees by means of Monte Carlo simulations using the interatomic potentials of the embedded atom model. In all cases the Pd films were found to grow epitaxially and pseudomorphically with the crystallographic orientation of the substrate. The differences and similarities of the adlayer with the substrate were analyzed.
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收藏
页码:9539 / 9546
页数:8
相关论文
共 22 条
[1]  
Allen M. P., 1992, COMPUTER SIMULATION
[2]   PALLADIUM ADSORPTION ON PT(111) - A COMBINED ELECTROCHEMICAL AND ULTRA-HIGH-VACUUM STUDY [J].
ATTARD, GA ;
PRICE, R ;
ALAKL, A .
ELECTROCHIMICA ACTA, 1994, 39 (11-12) :1525-1530
[3]   THE ELECTROCHEMICAL-BEHAVIOR OF IRREVERSIBLY ADSORBED PALLADIUM ON PT(111) IN ACID-MEDIA [J].
ATTARD, GA ;
BANNISTER, A .
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1991, 300 (1-2) :467-485
[4]   Formic acid oxidation on ultrathin Pd films on Au(hkl) and Pt(hkl) electrodes [J].
Baldauf, M ;
Kolb, DM .
JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (27) :11375-11381
[5]   A HYDROGEN ADSORPTION AND ABSORPTION STUDY WITH ULTRATHIN PD OVERLAYERS ON AU(111) AND AU(100) [J].
BALDAUF, M ;
KOLB, DM .
ELECTROCHIMICA ACTA, 1993, 38 (15) :2145-2153
[6]  
BALDAUF M, 1996, THESIS ULM
[7]   Self-diffusion on low-index metallic surfaces: Ag and Au(100) and (111) [J].
Boisvert, G ;
Lewis, LJ .
PHYSICAL REVIEW B, 1996, 54 (04) :2880-2889
[8]  
CAHN RW, 1993, MAT SCI TECHNOLOGY, pCH8
[9]   PRELIMINARY-STUDY OF THE ELECTROCHEMICAL ADSORPTION BEHAVIOR OF A PALLADIUM MODIFIED PT(111) ELECTRODE IN THE WHOLE RANGE OF COVERAGE [J].
CLAVILIER, J ;
LLORCA, MJ ;
FELIU, JM ;
ALDAZ, A .
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1991, 310 (1-2) :429-435
[10]   SEMIEMPIRICAL, QUANTUM-MECHANICAL CALCULATION OF HYDROGEN EMBRITTLEMENT IN METALS [J].
DAW, MS ;
BASKES, MI .
PHYSICAL REVIEW LETTERS, 1983, 50 (17) :1285-1288