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 language | English (US) |
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Pages (from-to) | 9975-9981 |
Number of pages | 7 |
Journal | Journal of Chemical Physics |
Volume | 115 |
Issue number | 21 |
DOIs | |
State | Published - Dec 1 2001 |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy
- Physical and Theoretical Chemistry