Equilibrium and nonequilibrium transport of oxygen in carbon nanotubes

Ki Ho Lee, Susan B. Sinnott

Research output: Contribution to journalArticlepeer-review

47 Scopus citations


The equilibrium and nonequilibrium transport of O 2 through open-ended, hydrogen-terminated, single-walled carbon nanotubes is examined using classical molecular dynamics simulations. It is found in both cases that the O 2 forms well-defined layers around the nanotube interior and/or exterior, and that molecular transport approaches normal mode-diffusion as the nanotube diameter increases. The interactions between the O 2 and the nantubes are stronger than that among the O 2, and this difference increases as the nanotube diameter decreases.

Original languageEnglish (US)
Pages (from-to)793-798
Number of pages6
JournalNano letters
Issue number4
StatePublished - Apr 2005

All Science Journal Classification (ASJC) codes

  • Bioengineering
  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics
  • Mechanical Engineering


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