Molecular Dynamics Simulation of a Chiral Self-Assembled Structure of a BIC and HA System on a HOPG Surface Driven by Hydrogen Bonds

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	Molecular Dynamics Simulation of a Chiral Self-Assembled Structure of a BIC and HA System on a HOPG Surface Driven by Hydrogen Bonds
	Wang Yun-He 1; Qin Yuan 1; Yao Man 1; Wang Xu-Dong 1; Li Shu-Ying 2; Wang Dong 2; Chen Ting 2
刊名	ACTA PHYSICO-CHIMICA SINICA
	2016-09-15
卷号	32 期号:9 页码:2255-2263
关键词	Chiral Self-assembly Molecular dynamics Hydrogen bond
英文摘要	5-(Benzyloxy)-isophthalic acid (BIC) derivatives and heptanol (HA) molecules adsorb on a highly oriented pyrolytic graphite (HOPG) surface. The surface forms a 2D network structure through weak hydrogen bond interactions. We used molecular dynamics to simulate this adsorption process and perform quantitative analysis of the characteristic parameters, such as the structure geometry, amount of energy, and the number, length and angle of the hydrogen bonds. We compared these results with the experimental result and performed correlational research on the forming tendency and stability between the hydrogen bonds and the chiral self assembled structure.
收录类别	SCI
语种	英语
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/35336]
专题	化学研究所_分子纳米结构与纳米技术实验室
作者单位	1.Dalian Univ Technol, Sch Mat Sci & Engn, Dalian 116024, Liaoning Provin, Peoples R China 2.Chinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Wang Yun-He,Qin Yuan,Yao Man,et al. Molecular Dynamics Simulation of a Chiral Self-Assembled Structure of a BIC and HA System on a HOPG Surface Driven by Hydrogen Bonds[J]. ACTA PHYSICO-CHIMICA SINICA,2016,32(9):2255-2263.
APA	Wang Yun-He.,Qin Yuan.,Yao Man.,Wang Xu-Dong.,Li Shu-Ying.,...&Chen Ting.(2016).Molecular Dynamics Simulation of a Chiral Self-Assembled Structure of a BIC and HA System on a HOPG Surface Driven by Hydrogen Bonds.ACTA PHYSICO-CHIMICA SINICA,32(9),2255-2263.
MLA	Wang Yun-He,et al."Molecular Dynamics Simulation of a Chiral Self-Assembled Structure of a BIC and HA System on a HOPG Surface Driven by Hydrogen Bonds".ACTA PHYSICO-CHIMICA SINICA 32.9(2016):2255-2263.