Novel Monte Carlo scheme for the simulation of adsorption and desorption processes

被引：6

作者：

Lehner, B ^{[1
]}

Hohage, M ^{[1
]}

Zeppenfeld, P ^{[1
]}

机构：

[1] Johannes Kepler Univ Linz, Inst Expt Phys, A-4040 Linz, Austria

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 336卷 / 1-2期

基金：

奥地利科学基金会;

关键词：

D O I：

10.1016/S0009-2614(01)00106-3

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：

A novel Monte Carlo (MC) simulation scheme is presented which allows a rigorous simulation of adsorption, growth and desorption processes on surfaces. 2D equilibrium situations and the influence of severe kinetic limitations can be handled equally. The performance of the simulation scheme is demonstrated for the case of Xe adsorption on a Pt(1 1 1) surface with an intrinsic step density of about 0.5%. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：123 / 128

页数：6

共 28 条

[21]

SELKE W, 1996, TOP APPL PHYS, V71, P328

[22] REACTION ORDER IN THERMAL DESORPTION SPECTROSCOPY [J].

VENABLES, JA ;

BIENFAIT, M .

SURFACE SCIENCE, 1976, 61 (02) :667-672

[23]

WEBB MB, 1982, NATO ADV STUDY I C, P365

[24] DYNAMIC MONTE-CARLO DESCRIPTION OF THERMAL-DESORPTION PROCESSES [J].

WEINKETZ, S .

JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (02) :1632-1637

[25] Rare-gas thermal desorption from flat and stepped platinum surfaces: Lateral interactions and the influence of dimensionality [J].

Widdra, W ;

Trischberger, P ;

Friess, W ;

Menzel, D ;

Payne, SH ;

Kreuzer, HJ .

PHYSICAL REVIEW B, 1998, 57 (07) :4111-4126

[26] SOME TOPICS IN THEORY OF FLUIDS [J].

WIDOM, B .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (11) :2808-&

[27] INTERACTION OF XENON AT SURFACE STEPS [J].

ZEPPENFELD, P ;

HORCH, S ;

COMSA, G .

PHYSICAL REVIEW LETTERS, 1994, 73 (09) :1259-1262

[28] Simulation of oxygen desorption from Pt(111) [J].

Zhdanov, VP ;

Kasemo, B .

SURFACE SCIENCE, 1998, 415 (03) :403-410

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