Theoretical study of the effects of intermolecular interactions in self-assembled long-chain alkanes adsorbed on graphite surface

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	Theoretical study of the effects of intermolecular interactions in self-assembled long-chain alkanes adsorbed on graphite surface
	Yin, SX; Wang, C; Qiu, XH; Xu, B; Bai, CL
刊名	SURFACE AND INTERFACE ANALYSIS
	2001-08-01
卷号	32 期号:1 页码:248-252
关键词	Long-chain Alkane Two-dimensional Lamellae Intermolecular Interactions Graphite
ISSN号	0142-2421
英文摘要	In this paper, we studied the physisorption of long-chain alkanes CnH2n+2 (n = 8, 16, 24, 34) on a graphite surface using molecular mechanics simulations. The computed results illustrated that the interactions between adsorbed molecules and substrate are dominated by van der Waals forces whereas the electrostatic interactions are very small. It was found that the ratio of the alkane molecule-molecule interactions (two-dimensional crystallization energy) to the interactions between alkane and graphite (adsorption energy) ranges from similar to2: 5 to 3: 5. The adsorption stability and immobility of the alkanes increases proportionally with an increase in the chain length. It was concluded that the lateral interactions between adsorbed molecules are important to the formation of ordered two-dimensional lamellae. The theoretical results support the scanning tunneling microscopy (STM) observation of alkylated aromatic compounds on a graphite surface. Copyright (C) 2001 John Wiley & Sons, Ltd.
语种	英语
出版者	JOHN WILEY & SONS LTD
WOS记录号	WOS:000170551800054
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/77753]
专题	中国科学院化学研究所
通讯作者	Bai, CL
作者单位	Chinese Acad Sci, Inst Chem, Ctr Mol Sci, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Yin, SX,Wang, C,Qiu, XH,et al. Theoretical study of the effects of intermolecular interactions in self-assembled long-chain alkanes adsorbed on graphite surface[J]. SURFACE AND INTERFACE ANALYSIS,2001,32(1):248-252.
APA	Yin, SX,Wang, C,Qiu, XH,Xu, B,&Bai, CL.(2001).Theoretical study of the effects of intermolecular interactions in self-assembled long-chain alkanes adsorbed on graphite surface.SURFACE AND INTERFACE ANALYSIS,32(1),248-252.
MLA	Yin, SX,et al."Theoretical study of the effects of intermolecular interactions in self-assembled long-chain alkanes adsorbed on graphite surface".SURFACE AND INTERFACE ANALYSIS 32.1(2001):248-252.