Phases of neon, xenon, and methane adsorbed on nanotube bundles

M. M. Calbi, S. M. Gatica, M. J. Bojan, M. W. Cole

Research output: Contribution to journalArticlepeer-review

88 Scopus citations

Abstract

The sequential appearance of phases on the outer surface of a bundle of nanotubes was explored. Ground state calculations for the Ne and CH4 found the 1D groove phase to be followed by the 3-stripe phase. The zigzag phase was not stable relative to either of these any 1D density. No evidence was found of a zigzag phase for Ne, Ar, Kr, or Xe in any of the simulation.

Original languageEnglish (US)
Pages (from-to)9975-9981
Number of pages7
JournalJournal of Chemical Physics
Volume115
Issue number21
DOIs
StatePublished - Dec 1 2001

All Science Journal Classification (ASJC) codes

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

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