A combined STM, LEED and molecular modelling study of PTCDA grown on Ag(110)

被引：99
作者：
Seidel, C
Awater, C
Liu, XD
Ellerbrake, R
Fuchs, H
机构：
[1] Physikalisches Institut, Universität Münster
来源：
SURFACE SCIENCE | 1997年 / 371卷 / 01期
关键词：
aromatics; computer simulations; construction and use of effective interatomic interactions; epitaxy; evaporation and sublimation; low energy electron diffraction (LEED); molecular beam epitaxy; scanning tunneling microscopy;
D O I：
10.1016/S0039-6028(96)00981-8
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：
Perylene-3,4,9,10-tetracarboxylic-dianhydride (PTCDA) was commensurably grown on Ag(110) by organic molecular-beam deposition (OMBD) under ultra-high vacuum conditions at 5 x 10(-8) Pa. In the monolayer regime, an epitaxial superstructure exists in a single domain orientation, as investigated with low energy electron diffraction (LEED) and scanning tunneling microscopy (STM). Molecular modelling calculations result in the same commensurate structure and provide, in addition, the absolute position of the adsorbate relative to the silver surface. As a result, the flat-lying PTCDA molecules are orientated in the (001) direction of the Ag(110) unit cell, leaving small holes with three uncovered silver atoms between the molecules.
引用
收藏
页码：123 / 130
页数：8
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