Compression- and shear-induced polymerization in model diacetylene-containing monolayers

被引：26

作者：

Chateauneuf, GM ^{[1
]}

Mikulski, PT ^{[1
]}

Gao, GT ^{[1
]}

Harrison, JA ^{[1
]}

机构：

[1] USN Acad, Dept Chem, Annapolis, MD 21402 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2004年 / 108卷 / 43期

关键词：

D O I：

10.1021/jp048077n

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：

Molecular dynamics simulations have been used to examine the response of monolayers composed of alkyne chains, which contain diacetylene moieties, to compression and shear. The simulations show that both compression and shear result in cross-linking, or polymerization, between chains. Irregular polymerization patterns appear among the carbon backbones. The vertical positioning of the diacetylene moieties within the alkyne chains (spacer length) and the sliding direction have an influence on the pattern of cross-linking and friction. In addition, chemical reactions between the chains of the monolayer and the amorphous carbon tip occur when diacetylene moieties are located at the ends of the chains closest to the tip. These adhesive interactions increase friction.

引用

页码：16626 / 16635

页数：10

共 39 条

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