Equilibrium and nonequilibrium transport of oxygen in carbon nanotubes

Ki Ho Lee, Susan B. Sinnott

Research output: Contribution to journalArticle

42 Scopus citations

Abstract

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
Volume5
Issue number4
DOIs
StatePublished - Apr 1 2005

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All Science Journal Classification (ASJC) codes

  • Bioengineering
  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering

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