Improving the productivity of monodisperse polyhedral cages by the rational design of kinetic self-assembly pathways

doi:10.1039/c8cp00522b

CORC > 化学研究所 > 中国科学院化学研究所

	Improving the productivity of monodisperse polyhedral cages by the rational design of kinetic self-assembly pathways
	Zeng, Xiangze 1; Li, Zhan-Wei 2; Zheng, Xiaoyan 1; Zhu, Lizhe 1; Sun, Zhao-Yan 2; Lu, Zhong-Yuan 3; Huang, Xuhui 1
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2018-04-21
卷号	20 期号:15 页码:10030-10037
ISSN号	1463-9076
DOI	10.1039/c8cp00522b
英文摘要	Hollow polyhedral cages hold great potential for application in nanotechnological and biomedical fields. Understanding the formation mechanism of these self-assembled structures could provide guidance for the rational design of the desired polyhedral cages. Here, by constructing kinetic network models from extensive coarse-grained molecular dynamics simulations, we elucidated the formation mechanism of the dodecahedral cage, which is formed by the self-assembly of patchy particles. We found that the dodecahedral cage is formed through increasing the aggregate size followed by structure rearrangement. Based on this mechanistic understanding, we improved the productivity of the dodecahedral cage through the rational design of the patch arrangement of patchy particles, which promotes the structural rearrangement process. Our results demonstrate that it should be a feasible strategy to achieve the rational design of the desired nanostructures via the kinetic analysis. We anticipate that this methodology could be extended to other self-assembly systems for the fabrication of functional nanomaterials.
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000430537600035
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/43223]
专题	中国科学院化学研究所
通讯作者	Li, Zhan-Wei; Huang, Xuhui
作者单位	1.Hong Kong Univ Sci & Technol, Dept Chem, Kowloon, Hong Kong, Peoples R China 2.Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Polymer Phys & Chem, Changchun, Jilin, Peoples R China 3.Jilin Univ, Inst Theoret Chem, State Key Lab Supramol Struct & Mat, Changchun, Jilin, Peoples R China
推荐引用方式 GB/T 7714	Zeng, Xiangze,Li, Zhan-Wei,Zheng, Xiaoyan,et al. Improving the productivity of monodisperse polyhedral cages by the rational design of kinetic self-assembly pathways[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2018,20(15):10030-10037.
APA	Zeng, Xiangze.,Li, Zhan-Wei.,Zheng, Xiaoyan.,Zhu, Lizhe.,Sun, Zhao-Yan.,...&Huang, Xuhui.(2018).Improving the productivity of monodisperse polyhedral cages by the rational design of kinetic self-assembly pathways.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,20(15),10030-10037.
MLA	Zeng, Xiangze,et al."Improving the productivity of monodisperse polyhedral cages by the rational design of kinetic self-assembly pathways".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20.15(2018):10030-10037.