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Silicon nanowire reinforced by single-walled carbon nanotube and its applications to anti-pulverization electrode in lithium ion battery
Zang JL(臧金良); Zhao YP(赵亚溥)
Source PublicationComposites Part B-Engineering
2012
Volume43Issue:1Pages:76-82
ISSN1359-8368
Abstract

Lithium (Li) ion batteries are in high demand by most of portable electronic devices. Silicon (Si), owing to its large theoretical energy density (4200 mA h g−1), is a promising candidate for anode material. However, loss of electrical contact caused by the pulverization that comes from the enormous volume changes during charging and discharging process hinders its application. The aim of the current work is to elucidate the possibility of using carbon nanotubes (CNTs) for the Si reinforcement to minimize the volume expansions. Firstly, ab initio simulations demonstrate that the Li ions can permeate CNT through the tube end freely under the normal charge voltage (∼3.6 V). Then, molecular dynamics simulations are adopted to analyze the strength improvement of silicon nanowires (SiNWs) encapsulated by CNT. The compression simulations of SiNW were performed to reveal the expansion processes during Li ion insertion into the electrode. The results show that the smaller the SiNW is, the better the reinforcing effect is. A phase transition appears in the SiNW encapsulated by CNT during compression, which makes SiNW more ductile. The simulation results provide an effective way for the SiNW reinforcement in the Li ion battery.

KeywordMolecular-dynamics Simulations Fracture Modulus Anodes Gold Nano-structures Lithium Ion Battery Fragmentation Computational Modeling
Subject Area复合材料力学
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Indexed BySCI ; EI
Language英语
WOS IDWOS:000299975400014
DepartmentLNM纳/微系统力学与物理力学
Classification一类
Citation statistics
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/45745
Collection非线性力学国家重点实验室
Recommended Citation
GB/T 7714
Zang JL,Zhao YP. Silicon nanowire reinforced by single-walled carbon nanotube and its applications to anti-pulverization electrode in lithium ion battery[J]. Composites Part B-Engineering,2012,43(1):76-82.
APA 臧金良,&赵亚溥.(2012).Silicon nanowire reinforced by single-walled carbon nanotube and its applications to anti-pulverization electrode in lithium ion battery.Composites Part B-Engineering,43(1),76-82.
MLA 臧金良,et al."Silicon nanowire reinforced by single-walled carbon nanotube and its applications to anti-pulverization electrode in lithium ion battery".Composites Part B-Engineering 43.1(2012):76-82.
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