Rational design and computer simulation of patchy particle self-assembly

被引:0
作者
机构
[1] Key Laboratory of Advanced Materials, Department of Chemical Engineering, Tsinghua University
来源
Yan, L. (ltyan@mail.tsinghua.edu.cn) | 1600年 / Materials China卷 / 65期
关键词
Colloid; Computer simulation; Nanoparticles; Patchy particles; Self-assembly;
D O I
10.3969/j.issn.0438-1157.2014.07.013
中图分类号
学科分类号
摘要
Using computer simulations, the controlled self-assembly of a series of patchy particles through rational design of various parameters of the surface patches was investigated, such as number of patches, position of patches and patch-patch interactions. The simulation of the self-assembly of spheres and rods with different surface properties indicated that the obtained morphologies depend on the anisotropy of particle and the arrangements and types of patches. By harnessing dynamic covalent bonds between particles and patches, a novel class of structures with ordered self-assembly and responsive properties was obtained. In addition, inspired by the sophisticated biological helices, large helices with tunable structural metrics and optical response were also obtained. These results showed that the targeted, precise and ordered self-assembled structure and corresponding performance could be achieved through the rational design of patchy particles. In this context, these patchy particles might provide new generations of materials with the potential for a variety of applications. © Copyright.
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页码:2513 / 2519
页数:6
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