Modelling the relative stability of carbon nanotubes exposed to environmental adsorbates and air

In parallel with the development of technological applications for carbon nanotubes, issues related to toxicology and environmental impact are also under increased scrutiny. It is clear from the available literature that the integrity of future carbon nanotube-based devices, our ability to anticipate failure of these devices, and our ability to manage the toxicological and environmental impacts require a detailed understanding of the stability of pure and functionalized carbon nanotubes under a full range of environmental conditions. Motivated by this endeavour, the present study uses a general thermodynamic model to predict the relative stability of carbon nanotubes exposed to a variety of atmospheric adsorbates, and uses them to examine the stability of nanotubes in air, as a function of the relative humidity. In general the results indicate that the adsorption of a sparse coverage of air is thermodynamically favoured, depending on the humidity, and the stability of small diameter nanotubes may be improved by exposure to humid air.