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.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry