SIMULATION STUDY OF PLATINUM ADSORPTION ON GRAPHITE USING THE SUTTON-CHEN POTENTIAL

被引:55
作者
LIEM, SY
CHAN, KY
机构
[1] Department of Chemistry, The University of Hong Kong, Hong Kong, Pokfulam Road
关键词
ADATOMS; COMPUTER SIMULATIONS; GRAPHITE; MOLECULAR DYNAMICS; PHYSICAL ADSORPTION; PLATINUM; SURFACE STRUCTURE; MORPHOLOGY; ROUGHNESS; AND TOPOGRAPHY;
D O I
10.1016/0039-6028(95)00016-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
We have used the Sutton-Chen potential to study the adsorption of platinum on graphite walls. The platinum-carbon interaction is assumed to be of Lennard-Jones' type and we have derived a set of potential parameters for this interaction from the Sutton-Chen potential. The results of the simulations using these potential functions are found to be in qualitative agreement with experimental studies. However, the size of the system should be sufficiently large in order to obtain realistic results. These findings indicate that these potential functions can be used to study this system more thoroughly.
引用
收藏
页码:119 / 128
页数:10
相关论文
共 29 条
  • [1] ATHANASOPOULOS DC, 1992, J CHEM PHYS, V97
  • [2] COMPUTER-SIMULATION STUDY OF MELTING IN DENSE OXYGEN LAYERS ON GRAPHITE
    BHETHANABOTLA, VR
    STEELE, WA
    [J]. PHYSICAL REVIEW B, 1990, 41 (13): : 9480 - 9487
  • [3] BINDRA P, 1981, ELECTROCHEM SOC P, V81, P6
  • [5] UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY
    CAR, R
    PARRINELLO, M
    [J]. PHYSICAL REVIEW LETTERS, 1985, 55 (22) : 2471 - 2474
  • [6] DAW MS, 1994, PHYS REV B, V29, P1285
  • [7] SCANNING TUNNELING MICROSCOPY OF PLATINUM DEPOSITS ON THE BASAL-PLANE OF HIGHLY ORIENTED PYROLYTIC-GRAPHITE
    EPPELL, S
    CHOTTINER, GS
    SCHERSON, DA
    PRUETT, G
    [J]. LANGMUIR, 1990, 6 (07) : 1316 - 1319
  • [8] A SIMPLE EMPIRICAL N-BODY POTENTIAL FOR TRANSITION-METALS
    FINNIS, MW
    SINCLAIR, JE
    [J]. PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1984, 50 (01): : 45 - 55
  • [9] EPITAXIAL ORIENTATIONS OF O-2 MONOLAYERS ON GRAPHITE BY SUPERLATTICE FORMATION
    FLURCHICK, K
    ETTERS, RD
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (08) : 4657 - 4663
  • [10] LENNARD-JONES MIXTURES IN A CYLINDRICAL PORE. A COMPARISON OF SIMULATION AND DENSITY FUNCTIONAL THEORY
    Heffelfinger, Grant S.
    Tan, Ziming
    Gubbins, Keith E.
    Marconi, Umberto Marini Bettolo
    Van Swol, Frank
    [J]. MOLECULAR SIMULATION, 1989, 2 (4-6) : 393 - 411