Self-organization of monodentate organic molecules on a solid surface - A Monte Carlo and transfer-matrix study

被引：12

作者：

Akimenko, S. S. ^{[1
]}

Gorbunov, V. A. ^{[1
]}

Myshlyavtsev, A. V. ^{[1
,2
]}

Fefelov, V. F. ^{[1
]}

机构：

[1] Omsk State Tech Univ, Omsk 644050, Russia

[2] Inst Hydrocarbons Proc SB RAS, Omsk 644040, Russia

来源：

SURFACE SCIENCE | 2015年 / 639卷

关键词：

Lattice gas model; Transfer-matrix method; Monte Carlo method; Adsorption; Self-assembly; Hydrogen bond; SCANNING-TUNNELING-MICROSCOPY; TRIANGULAR-SHAPED MOLECULES; DIMER ADSORPTION; SUPRAMOLECULAR NANOSTRUCTURES; INTERACTING DIMERS; SQUARE LATTICES; METAL-SURFACES; MONOLAYER; MODEL; WORLD;

D O I：

10.1016/j.susc.2015.05.001

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 lattice gas model of monodentate organic molecules on a solid surface in terms of pair directional interactions has been developed. As a special case of the constructed model the self-organization of CaTBPP on Au(111) surface was studied with Monte Carlo and transfer-matrix methods in the grand canonical ensemble. It is shown that the adsorbed molecules tend to form dimers when the hydrogen bonding between the molecules is relatively strong. Phase behavior of the system in this case can be characterized as the hierarchical selfassembly process. The self-assembly is led by the repulsive interactions between the building blocks those are the dimers of the adsorbate molecules stabilized with the strong hydrogen bonding. When hydrogen bonding is weak, a cross-like structure appears at moderate surface coverages. (C) 2015 Elsevier B.V. All rights reserved.

引用

页码：89 / 95

页数：7

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