Mechanical properties of functionalized carbon nanotubes

Z. Q. Zhang, B. Liu*, Y. L. Chen, H. Jiang, K. C. Hwang, Y. Huang

*Corresponding author for this work

Research output: Contribution to journalArticle

63 Scopus citations

Abstract

Carbon nanotubes (CNTs) used to reinforce polymer matrix composites are functionalized to form covalent bonds with the polymer in order to enhance the CNT/polymer interfaces. These bonds destroy the perfect atomic structures of a CNT and degrade its mechanical properties. We use atomistic simulations to study the effect of hydrogenization on the mechanical properties of single-wall carbon nanotubes. The elastic modulus of CNTs gradually decreases with the increasing functionalization (percentage of C-H bonds). However, both the strength and ductility drop sharply at a small percentage of functionalization, reflecting their sensitivity to C-H bonds. The cluster C-H bonds forming two rings leads to a significant reduction in the strength and ductility. The effect of carbonization has essentially the same effect as hydrogenization.

Original languageEnglish (US)
Article number395702
JournalNanotechnology
Volume19
Issue number39
DOIs
StatePublished - Oct 1 2008

ASJC Scopus subject areas

  • Bioengineering
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering
  • Electrical and Electronic Engineering

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    Zhang, Z. Q., Liu, B., Chen, Y. L., Jiang, H., Hwang, K. C., & Huang, Y. (2008). Mechanical properties of functionalized carbon nanotubes. Nanotechnology, 19(39), [395702]. https://doi.org/10.1088/0957-4484/19/39/395702