Phases of Neon, Xenon, and Methane adsorbed on nanotube bundles

Details Phases of Neon, Xenon, and Methane adsorbed on nanotube bundles Phases of Neon, Xenon, and Methane adsorbed on nanotube bundles

2001-07-09

arxiv.org/abs/cond-mat/0107182v1

Physics

Condensed Matter

Soft Condensed Matter

Scientific paper

10.1063/1.1414376

We explore the behavior of neon, xenon, and methane filmas adsorbed on the external surface of a bundle of carbon nanotubes. The methods used are classical: a ground state calculation, by grand potential energy minimization, and the grand canonical Monte Carlo (GCMC) method of simulation. Our results are similar to those found recently in a GCMC study of Ar and Kr. At low chemical potential (pressure) the particles form a quasi-one dimensional phase within the groove formed by two contiguous tubes. At higher chemical potential, there occurs a "three-stripe" phase aligned parallel to the groove (except for xenon). This is followed by monolayer and bilayer phases. The low temperature monolayer phase is striped; the number of stripes per nanotube is a quantized function of the adatom size. In the neon case, the bilayer regime also includes a second layer groove phase. Our results are compared with recent thermal and diffraction experiments. We find no evidence of a zig-zag phase reported recently.

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