Temperature Programmed Desorption on Carbon Nanotube Bundles: a Computer Simulation study

We present a study of gas desorption on external surfaces of carbon nanotube bundles by means of a Kinetic Monte Carlo scheme. Starting with an initial coverage, we follow the amount of gas desorbed as the temperature increases for different values of initially occupied sites and initial temperature of the sample. We analyze the spectrum obtained in terms of the different binding energies of the adsorption sites. We also compare our results with some available experimental measurements on nanotube bundles and other nanostructures.