Coating the carbon nanotubes: Geometry of incommensurate long-range ordered physisorbed monolayers

TL;DR

This paper investigates the structure and energetics of ordered monolayers of adsorbates on carbon nanotubes, demonstrating the potential for uniform atomic coatings and providing detailed geometric insights.

Contribution

It introduces a detailed analysis of the geometrical and energetic factors governing incommensurate monolayer ordering on nanotubes, highlighting possible uniform coatings.

Findings

Multiple stable adsorbate structures identified

Some structures differ minimally in energy

Uniform nanotube coatings are feasible

Abstract

The structures of long-range ordered physisorbed monolayer on a carbon nanotube are examined. Geometrical and energetical constraints determining the order of such monolayers are discussed. A number of symmetrically different, strongly bound adsorbate structures is found for Xe adsorbates, some of which differ very little in energy. The presented results suggest that the atomically uniform coating of carbon nanotubes is possible and offer a clear visualization of such coatings.