Lithiation induced corrosive fracture in defective carbon nanotubes

被引：23

作者：

Huang, Xu ^{[1
]}

Yang, Hui ^{[1
]}

Liang, Wentao ^{[1
]}

Raju, Muralikrishna ^{[2
]}

Terrones, Mauricio ^{[3
]}

Crespi, Vincent H. ^{[3
]}

van Duin, Adri C. T. ^{[2
]}

Zhang, Sulin ^{[1
]}

机构：

[1] Penn State Univ, Dept Engn Sci & Mech, University Pk, PA 16802 USA

[2] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA

[3] Penn State Univ, Dept Phys, University Pk, PA 16802 USA

来源：

APPLIED PHYSICS LETTERS | 2013年 / 103卷 / 15期

基金：

美国国家科学基金会;

关键词：

REACTIVE FORCE-FIELD; LITHIUM STORAGE; INSERTION; CAPACITY; STRENGTH;

D O I：

10.1063/1.4824418

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We perform molecular dynamics simulations to elucidate lithiation induced fracture mechanisms of defective single-walled carbon nanotubes (SWCNTs). Our simulations reveal that variations of defect size and lithium concentration set two distinct fracture modes of the SWCNTs upon uniaxial stretch: abrupt and retarded fracture. Abrupt fracture either involves spontaneous lithium weakening of the propagating crack tip or is absent of lithium participation, while retarded fracture features a "wait-and-go" crack extension process in which the crack tip periodically arrests and waits to be weakened by diffusing lithium before extension resumes. Our study sheds light on the rational design of high-performance CNT-based electrodes. (C) 2013 AIP Publishing LLC.

引用

页数：4

共 50 条

[1] Lithiation-Induced Embrittlement of Multiwalled Carbon Nanotubes
Liu, Yang
Zheng, He
Liu, Xiao Hua
Huang, Shan
Zhu, Ting
Wang, Jiangwei
Kushima, Akihiro
Hudak, Nicholas S.
Huang, Xu
Zhang, Sulin
Mao, Scott X.
Qian, Xiaofeng
Li, Ju
Huang, Jian Yu
[J]. ACS NANO, 2011, 5 (09) : 7245 - 7253
[2] Fracture and progressive failure of defective graphene sheets and carbon nanotubes
Xiao, J. R.
Staniszewski, J.
Gillespie, J. W., Jr.
[J]. COMPOSITE STRUCTURES, 2009, 88 (04) : 602 - 609
[3] Current-induced curing of defective carbon nanotubes
Suekane, Osamu
Nagataki, Atsuko
Nakayama, Yoshikazu
[J]. APPLIED PHYSICS LETTERS, 2006, 89 (18)
[4] Lithiation of Silicon Nanoparticles Confined in Carbon Nanotubes
Yu, Wan-Jing
Liu, Chang
Hou, Peng-Xiang
Zhang, Lili
Shan, Xu-Yi
Li, Feng
Cheng, Hui-Ming
[J]. ACS NANO, 2015, 9 (05) : 5063 - 5071
[5] Buckling of defective carbon nanotubes
Zhang, Y. Y.
Xiang, Y.
Wang, C. M.
[J]. JOURNAL OF APPLIED PHYSICS, 2009, 106 (11)
[6] Dissociation of water molecules induced by charged-defective carbon nanotubes
Guo, Z. H.
Yan, X. H.
Yang, Y. R.
Deng, Y. X.
Lu, D.
Wang, D. L.
[J]. JOURNAL OF PHYSICAL CHEMISTRY C, 2008, 112 (12): : 4618 - 4621
[7] Buckling Behavior of Defective Carbon Nanotubes
Shi, D.
Chen, H.
[J]. SIXTH INTERNATIONAL CONFERENCE ON NONLINEAR MECHANICS (ICNM-VI), 2013, : 150 - 153
[8] Hydrogen adsorption in defective carbon nanotubes
Chen, Chien-Hung
Huang, Chen-Chia
[J]. SEPARATION AND PURIFICATION TECHNOLOGY, 2009, 65 (03) : 305 - 310
[9] Coupled quantum mechanical/molecular mechanical modeling of the fracture of defective carbon nanotubes and graphene sheets
Khare, Roopam
Mielke, Steven L.
Paci, Jeffrey T.
Zhang, Sulin
Ballarini, Roberto
Schatz, George C.
Belytschko, Ted
[J]. PHYSICAL REVIEW B, 2007, 75 (07)
[10] Prediction of fracture pattern in defective Single walled carbon nanotubes using Molecular Structural mechanics
Patel, Ajay
Ardeshana, Bhavik
Jani, Umang
Joshi, Anand
[J]. 3RD INTERNATIONAL CONFERENCE ON INNOVATIONS IN AUTOMATION AND MECHATRONICS ENGINEERING 2016, ICIAME 2016, 2016, 23 : 114 - 121

← 1 2 3 4 5 →