ICCAS OpenIR
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
2001-08-01
Source PublicationSURFACE AND INTERFACE ANALYSIS
ISSN0142-2421
Volume32Issue:1Pages:248-252
AbstractIn 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.
KeywordLong-chain Alkane Two-dimensional Lamellae Intermolecular Interactions Graphite
Indexed ByISTP ; SCI
Language英语
WOS IDWOS:000170551800054
PublisherJOHN WILEY & SONS LTD
Citation statistics
Cited Times:81[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/77754
Collection中国科学院化学研究所
Corresponding AuthorBai, CL
AffiliationChinese Acad Sci, Inst Chem, Ctr Mol Sci, Beijing 100080, Peoples R China
Recommended Citation
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.
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