Research on the Interfacial Interaction between Polyacetylene and Silver Nanowire. Issue 6 (13th September 2020)

• Record Type: Journal Article
• Authors: Zhang, Danhui; Liang, Ruquan; Liu, Zhongkui; Yang, Houbo; Shi, Jianhui; Song, Yuanmei; Zhang, Dengbo; Liu, Anmin
• Is Part Of: Macromolecular theory and simulations. Volume 29:Issue 6(2020)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2020-09-13
• Subjects: a molecular dynamics simulation -- composite nanostructures -- lattice plane -- polyacetylene -- silver nanowire; Macromolecules -- Periodicals; Polymers -- Periodicals; Polymerization -- Periodicals; Macromolécules -- Périodiques; 547.705
• DOI: 10.1002/mats.202000034
• Languages: English
• ISSNs: 1022-1344

Abstract

Abstract: 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. Abstract : The interfacial interaction between silver nanowire and polyacetylene is demonstrated using a molecular dynamic simulation. The polyacetylene can radially intertwine silver nanowire when polyacetylene reaches a certain length. This work will be helpful to better understand the interaction between polymer and metal nanowires and also provide the theoretical support for fabrication of high performance nanocomposites.