SURFACE-DIFFUSION OF MOLECULES PHYSISORBED ON DIELECTRIC SUBSTRATES

被引:22
作者
LAKHLIFI, A
GIRARDET, C
机构
[1] Laboratoire de Physique Moléculaire, URA CNRS 772, Université de Franche-Comté, La Bouloie, Besançon Cedex
关键词
D O I
10.1063/1.460336
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
Semiempirical potential calculations are performed to determine the potential surfaces experienced by a X molecule (X = Xe,CH4,N2,CO,NH3,CH3F) absorbed on the (100) face of dielectric substrates (MgO, NaCl) and on the (111) dense face of xenon. The diffusion mechanism of X on these surfaces is then described, within the transit time concept, as a successive jump process along the diffusion coordinate, including the statical and dynamical influence of the other molecular motions. The calculated diffusion constants can serve as a test of the surface corrugation and of the admolecule dynamics.
引用
收藏
页码:688 / 694
页数:7
相关论文
共 15 条
[1]   DIFFUSIVITY OF A TWO-DIMENSIONAL LATTICE FLUID - CH4 ADSORBED ON MGO(100) [J].
BIENFAIT, M ;
COULOMB, JP ;
PALMARI, JP .
SURFACE SCIENCE, 1987, 182 (03) :557-566
[2]   MOLECULAR-DYNAMICS SIMULATIONS OF ENERGY-FLOW AT A SOLID-SURFACE - NEW METHODS USING A SMALL NUMBER OF ATOMS [J].
DEPRISTO, AE ;
METIU, H .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (02) :1229-1236
[3]   SELF-CONSISTENT INTERACTION POTENTIAL FOR A MOLECULE ADSORBED ON A DIELECTRIC SURFACE - A SYMMETRICAL TOP MOLECULE ON AN IONIC-CRYSTAL [J].
GIRARD, C ;
GIRARDET, C .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (11) :6531-6539
[4]   THE ORIENTATION-INVERSION MOTIONS OF AMMONIA TRAPPED IN MATRIX - AN INERTIAL MODEL [J].
GIRARDET, C ;
LAKHLIFI, A .
CHEMICAL PHYSICS, 1986, 110 (2-3) :447-464
[5]   HYDROGEN MOTION ON A CU SURFACE - A MODEL STUDY OF THE RATE OF SINGLE AND DOUBLE SITE-TO-SITE JUMPS AND THE ROLE OF THE MOTION PERPENDICULAR TO THE SURFACE [J].
HAUG, K ;
WAHNSTROM, G ;
METIU, H .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (01) :540-547
[6]   HYDROGEN MOTION ON A RIGID CU SURFACE - THE CALCULATION OF THE SITE TO SITE HOPPING RATE BY USING FLUX FLUX CORRELATION-FUNCTIONS [J].
HAUG, K ;
WAHNSTROM, G ;
METIU, H .
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (03) :2083-2098
[7]  
LAKHLIFI A, 1990, INTERNAL REPORT
[8]  
LAKHLIFI A, IN PRESS SURF SCI
[9]   MODEL STUDIES OF ATOM AND MOLECULE DIFFUSION ON SURFACES [J].
PARK, SC ;
BOWMAN, JM .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (05) :2191-2196
[10]   THEORETICAL-MODEL FOR THE ELECTRODIFFUSION OF M+ (M=LI,NA,K) IONS IN A QUARTZ CRYSTAL [J].
PLATA, J ;
BRETON, J ;
GIRARDET, C .
PHYSICAL REVIEW B, 1988, 38 (05) :3482-3493