Molecular Dynamics Simulation of a Chiral Self-Assembled Structure of a BIC and HA System on a HOPG Surface Driven by Hydrogen Bonds
文献类型：期刊论文
| 作者 | Wang Yun-He1; Qin Yuan1; Yao Man1; Wang Xu-Dong1; Li Shu-Ying2; Wang Dong2; Chen Ting2 |
| 刊名 | ACTA PHYSICO-CHIMICA SINICA
 |
| 出版日期 | 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 |
| 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. |
入库方式： OAI收割
来源：化学研究所
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