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Research on the Interfacial Interaction between Polyacetylene and Silver Nanowire
Macromolecular Theory and Simulations ( IF 1.8 ) Pub Date : 2020-09-13 , DOI: 10.1002/mats.202000034 Danhui Zhang 1 , Ruquan Liang 1 , Zhongkui Liu 1 , Houbo Yang 1 , Jianhui Shi 1 , Yuanmei Song 1 , Dengbo Zhang 1 , Anmin Liu 2
Macromolecular Theory and Simulations ( IF 1.8 ) Pub Date : 2020-09-13 , DOI: 10.1002/mats.202000034 Danhui Zhang 1 , Ruquan Liang 1 , Zhongkui Liu 1 , Houbo Yang 1 , Jianhui Shi 1 , Yuanmei Song 1 , Dengbo Zhang 1 , Anmin Liu 2
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The interfacial interaction between silver nanowire and polyacetylene is demonstrated using a molecular dynamic simulation. The simulation results display that polyacetylene can radially intertwine silver nanowire when polyacetylene reaches a certain length. However, when the silver nanowire is fine enough, the polyacetylene can spiral‐enwind silver nanowire and also make the silver atom recombination. The final configurations are very stable. The simulations also show that the van der Waals force plays an important role in the fabrication of the polyacetylene/silver nanowire core/shell composite nanostructures. A series of effect factors such as the diameter of silver nanowire, the lattice plane of silver, the length of polyacetylene, and the chain number of polymer are also displayed in detail. Moreover, the interaction between polyacetylene and different metal nanowires (platinum, gold, copper, and iron) are exhibited, too. It is expected that this work will be conducive to better understand the interaction between polymer and metal nanowires and also provide the theoretical support for fabrication of high performance nanocomposites.
中文翻译：
聚乙炔与银纳米线的界面相互作用研究
使用分子动力学模拟证明了银纳米线和聚乙炔之间的界面相互作用。仿真结果表明，当聚乙炔达到一定长度时，聚乙炔可以径向缠绕银纳米线。但是，当银纳米线足够细时，聚乙炔可以螺旋缠绕银纳米线，并且还可以使银原子重组。最终配置非常稳定。模拟还表明范德华力在聚乙炔/银纳米线核/壳复合纳米结构的制造中起着重要作用。还详细显示了一系列影响因素，例如银纳米线的直径，银的晶格面，聚乙炔的长度以及聚合物的链数。此外，聚乙炔与不同的金属纳米线（铂，金，铜和铁）之间也存在相互作用。预期这项工作将有助于更好地理解聚合物与金属纳米线之间的相互作用，并为高性能纳米复合材料的制造提供理论支持。
更新日期：2020-09-13
中文翻译：
聚乙炔与银纳米线的界面相互作用研究
使用分子动力学模拟证明了银纳米线和聚乙炔之间的界面相互作用。仿真结果表明，当聚乙炔达到一定长度时，聚乙炔可以径向缠绕银纳米线。但是，当银纳米线足够细时，聚乙炔可以螺旋缠绕银纳米线，并且还可以使银原子重组。最终配置非常稳定。模拟还表明范德华力在聚乙炔/银纳米线核/壳复合纳米结构的制造中起着重要作用。还详细显示了一系列影响因素，例如银纳米线的直径，银的晶格面，聚乙炔的长度以及聚合物的链数。此外，聚乙炔与不同的金属纳米线（铂，金，铜和铁）之间也存在相互作用。预期这项工作将有助于更好地理解聚合物与金属纳米线之间的相互作用，并为高性能纳米复合材料的制造提供理论支持。
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