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) | |
发表期刊 | Composites Part B-Engineering |
2012 | |
卷号 | 43期号:1页码:76-82 |
ISSN | 1359-8368 |
摘要 | 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. |
关键词 | Molecular-dynamics Simulations Fracture Modulus Anodes Gold Nano-structures Lithium Ion Battery Fragmentation Computational Modeling |
学科领域 | 复合材料力学 |
URL | 查看原文 |
收录类别 | SCI ; EI |
语种 | 英语 |
WOS记录号 | WOS:000299975400014 |
课题组名称 | LNM纳/微系统力学与物理力学 |
论文分区 | 一类 |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://dspace.imech.ac.cn/handle/311007/45745 |
专题 | 非线性力学国家重点实验室 |
推荐引用方式 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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