Interaction of single-walled carbon nanotubes with alkylamines: An ab initio study

Olga V. Pupysheva, Amir A. Farajian, Hitoshi Nejo, Hiroshi Mizuseki, Yoshiyuki Kawazoe

Research output: Contribution to journalConference articlepeer-review

10 Citations (Scopus)


We study the interaction of single-walled carbon nanotubes and organic amines with sizable alkyl groups from the first principles. Adsorption energy is calculated, and amine affinities for the typical semiconducting and metallic nanotubes are compared. We discuss role of the amine in nanotube debundling. Our results support the idea of using alkylamines as nanotube purifying agents in addition to ultrasonic treatment.

Original languageEnglish
Pages (from-to)256-258
Number of pages3
JournalThin Solid Films
Issue number1-2
Publication statusPublished - 2006 Mar 21
EventProceedings of the Sixth International Conference on Nano-Molecular Electronics (ICNME 2004) -
Duration: 2004 Dec 152004 Dec 17


  • Adsorption
  • Amine
  • Carbon nanotube
  • Debundling

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Metals and Alloys
  • Materials Chemistry


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