Journal
APPLIED PHYSICS LETTERS
Volume 103, Issue 15, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4824418
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Funding
- NSF [CMMI-1201058, CMMI-0900692]
- Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center
- U.S. Department of Energy, Office of Science
- U.S. Department of Energy, Office of Basic Energy Sciences
- Div Of Civil, Mechanical, & Manufact Inn
- Directorate For Engineering [1201058] Funding Source: National Science Foundation
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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.
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