Molecular dynamics simulation of adsorption of Ag particles on a graphite substrate

被引：33

作者：

RafiiTabar, H ^{[1
]}

Kamiyama, H ^{[1
]}

Cross, M ^{[1
]}

机构：

[1] AOMORI PUBL COLL,AOMORI 0301,JAPAN

来源：

SURFACE SCIENCE | 1997年 / 385卷 / 01期

关键词：

adsorption; beta-sites; graphite substrate; many-body potentials; molecular dynamics simulation; Morse Ag-C potential; nano-phase; scanning tunneling microscopy experiment; silver monomer and dimer;

D O I：

10.1016/S0039-6028(97)00262-8

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 performed for the first time a molecular dynamics simulation of the adsorption of gas-phase Ag particles on a graphite substrate to provide an insight into the results of a comprehensive STM-based experiment on this system. Both pair-wise and many-body interatomic potentials have been employed, and a Morse-type Ag-C potential was specifically constructed to describe the interactions at the interface. Our simulation has successfully reproduced a significant portion of the experimental findings. We have also observed the intercalation of silver in graphite. (C) 1997 Elsevier Science B.V.

引用

页码：187 / 199

页数：13

共 23 条

[1] ADSORPTION AND DESORPTION KINETICS OF CU AND AU ON (0001) GRAPHITE
ARTHUR, JR
CHO, AY
[J]. SURFACE SCIENCE, 1973, 36 (02) : 641 - 660
[2] CATALYSIS - FINE-TUNING METAL-CLUSTERS
BOUDART, M
[J]. NATURE, 1994, 372 (6504) : 320 - 320
[3] Brenner D.W., 1989, Mat. Res. Soc. Symp. Proc, V141, P59
[4] EMPIRICAL POTENTIAL FOR HYDROCARBONS FOR USE IN SIMULATING THE CHEMICAL VAPOR-DEPOSITION OF DIAMOND FILMS
BRENNER, DW
[J]. PHYSICAL REVIEW B, 1990, 42 (15): : 9458 - 9471
[5] MOLECULAR-DYNAMICS INVESTIGATION OF ORIENTATIONAL FREEZING IN SOLID C-60
CHENG, A
KLEIN, ML
[J]. PHYSICAL REVIEW B, 1992, 45 (04): : 1889 - 1895
[6] Chopra K. L., 1969, Thin Films Phenomena
[7] 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
[8] Deposition and growth of noble metal clusters on graphite
Francis, GM
Goldby, IM
Kuipers, L
vonIssendorff, B
Palmer, RE
[J]. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1996, (05): : 665 - 671
[9] SCANNING TUNNELING MICROSCOPY OF CU, AG, AU AND AL ADATOMS, SMALL CLUSTERS, AND ISLANDS ON GRAPHITE
GANZ, E
SATTLER, K
CLARKE, J
[J]. SURFACE SCIENCE, 1989, 219 (1-2) : 33 - 67
[10] CANONICAL DYNAMICS - EQUILIBRIUM PHASE-SPACE DISTRIBUTIONS
HOOVER, WG
[J]. PHYSICAL REVIEW A, 1985, 31 (03): : 1695 - 1697

← 1 2 3 →