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Investigating limiting factors for self-assembly of carbon nanotubes: A molecular dynamics simulation study
Zhang, Jianwei1,3,4; Cui, Jianlei1,2,3,5; Wei, Fengqi1,3; Wang, Wenjun1,4; He, Xiaoqiao6; Mei, Xuesong1,4
Department瞬态光学研究室
2020-02-28
Source PublicationAPPLIED SURFACE SCIENCE
ISSN0169-4332;1873-5584
Volume504
Contribution Rank5
Abstract

Multi-scale patterned assembly and integration is an important solution to break through the industrial application of carbon nanotubes (CNTs). The strategy based on self-assembly has yielded fruitful achievements in the practice of fabricating patterns such as two dimensional arrays. However, the mechanism of self-assembly of CNTs and the key factors that limit the fidelity of patterns have always been an unresolved issue. In this paper, all-atomic molecular models for studying the mechanism of hydrophilic/hydrophobic self-assembly are established and some key factors limiting the fidelity of SWNTs patterns are thoroughly investigated. The results show that chiral indices have little effect on the results of self-assembly. Secondly, edge effect determines the assembly sequence on hydrophilic surface and self-assembly will not occur when M-SWNTs are above the hydrophilic/hydrophobic interface. Thirdly, the assembly sequence of M-SWNTs in different layers of the solution is dominated by the competition of H2O molecules. At last, shielding effect is very important for the study of how to improve the density of SWNTs in the pattern. The explicitly results are not only helpful to understand many phenomena in self-assembly process at the atomic scale but also will provide meaningful guidance in fabrication of SWNTs patterns to prevent distortion.

KeywordSelf-assembly Single-walled carbon nanotubes (SWNTs) Non-covalent modification Behavior evolution Limiting factors
DOI10.1016/j.apsusc.2019.144397
Indexed BySCI
Language英语
WOS IDWOS:000502040600097
PublisherELSEVIER
Citation statistics
Cited Times:16[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.opt.ac.cn/handle/181661/93353
Collection瞬态光学研究室
Corresponding AuthorCui, Jianlei
Affiliation1.Xi An Jiao Tong Univ, State Key Lab Mfg Syst Engn, Xian 710049, Shaanxi, Peoples R China
2.Shanghai Jiao Tong Univ, State Key Lab Mech Syst & Vibrat, Shanghai 200240, Peoples R China
3.Zhejiang Univ, State Key Lab Fluid Power & Mechatron Syst, Hangzhou 310027, Zhejiang, Peoples R China
4.Xi An Jiao Tong Univ, Shaanxi Key Lab Intelligent Robots, Xian 710049, Shaanxi, Peoples R China
5.Chinese Acad Sci, State Key Lab Transient Opt & Photon, Xian Inst Opt & Precis Mech, Xian 710119, Shaanxi, Peoples R China
6.City Univ Hong Kong, Dept Architecture & Civil Engn, Kowloon, Tat Chee Ave, Hong Kong, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Jianwei,Cui, Jianlei,Wei, Fengqi,et al. Investigating limiting factors for self-assembly of carbon nanotubes: A molecular dynamics simulation study[J]. APPLIED SURFACE SCIENCE,2020,504.
APA Zhang, Jianwei,Cui, Jianlei,Wei, Fengqi,Wang, Wenjun,He, Xiaoqiao,&Mei, Xuesong.(2020).Investigating limiting factors for self-assembly of carbon nanotubes: A molecular dynamics simulation study.APPLIED SURFACE SCIENCE,504.
MLA Zhang, Jianwei,et al."Investigating limiting factors for self-assembly of carbon nanotubes: A molecular dynamics simulation study".APPLIED SURFACE SCIENCE 504(2020).
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