Effect of chemical functionalization on the mechanical properties of carbon nanotubes

Ajay Garg, Susan B. Sinnott

Research output: Contribution to journalArticlepeer-review

315 Scopus citations


Carbon nanotubes (CNTs) have been proposed as ideal fibers for the manufacture of the next generation of composite materials. To ultimately increase the interaction of the CNTs with polymer matrices, researchers have attached chemical functional groups to the nanotube walls. The effects of covalent chemical attachments on the mechanical properties of single-walled CNTs are examined with classical molecular dynamics simulations. The maximum compressive (buckling) force for various functionalized and non-functionalized CNTs is calculated. It is found that covalent chemical attachments decrease the maximum buckling force by about 15% regardless of tubule helical structure or radius.

Original languageEnglish (US)
Pages (from-to)273-278
Number of pages6
JournalChemical Physics Letters
Issue number4
StatePublished - Oct 16 1998

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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