Diffusion of a butanethiolate molecule on a Au{111} surface

被引:80
作者
Mahaffy, R [1 ]
Bhatia, R [1 ]
Garrison, BJ [1 ]
机构
[1] PENN STATE UNIV,DEPT CHEM,UNIVERSITY PK,PA 16802
来源
JOURNAL OF PHYSICAL CHEMISTRY B | 1997年 / 101卷 / 05期
关键词
D O I
10.1021/jp962281w
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
The diffusion of a butanethiolate molecule on a Au{111} surface has been modeled by molecular dynamics simulations. We find that internal chain motion enhances diffusion over that of a heavy atom of the same mass.
引用
收藏
页码:771 / 773
页数:3
相关论文
共 26 条
[2]   MOLECULAR-DYNAMICS STUDY OF THE SURFACE-DIFFUSION OF N-ALKANE LIKE ADSORBATES .2. ROLE OF CHAIN STIFFNESS [J].
COHEN, D ;
ZEIRI, Y .
SURFACE SCIENCE, 1992, 274 (01) :173-184
[3]   A THEORETICAL-STUDY OF THE SURFACE-DIFFUSION OF LARGE MOLECULES .1. NORMAL-ALKANE-TYPE CHAINS ON W(100) [J].
COHEN, D ;
ZEIRI, Y .
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (02) :1531-1541
[4]  
DEPRISTO AE, 1995, RECENT ADV DENSITY 2
[5]   SYNTHESIS, STRUCTURE, AND PROPERTIES OF MODEL ORGANIC-SURFACES [J].
DUBOIS, LH ;
NUZZO, RG .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1992, 43 :437-463
[6]   SIMULATION AND ANALYSIS OF THE MOTION OF N-BUTANE ON PT(111) [J].
FICHTHORN, KA ;
BALAN, PG ;
CHEN, Y .
SURFACE SCIENCE, 1994, 317 (1-2) :37-44
[7]   Modeling of surface processes as exemplified by hydrocarbon reactions [J].
Garrison, BJ ;
Kodali, PBS ;
Srivastava, D .
CHEMICAL REVIEWS, 1996, 96 (04) :1327-1341
[8]  
HAUPTMAN J, 1989, J CHEM PHYS, V91, P4994
[9]   MOLECULAR-DYNAMICS SIMULATION OF THE SURFACE-DIFFUSION OF N-ALKANES ON PT(111) [J].
HUANG, D ;
BALAN, PG ;
CHEN, Y ;
FICHTHORN, KA .
MOLECULAR SIMULATION, 1994, 13 (4-5) :285-298
[10]   A MOLECULAR-DYNAMICS SIMULATION STUDY OF THE ADSORPTION AND DIFFUSION DYNAMICS OF SHORT N-ALKANES ON PT(111) [J].
HUANG, DY ;
CHEN, Y ;
FICHTHORN, KA .
JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (12) :11021-11030