Simulating the effect of carbon nanotube curvature on adsorption of polycyclic aromatic hydrocarbons

Abstract

The results of Molecular Dynamics simulation of polycyclic aromatic hydrocarbons adsorption on single-walled (13,9) carbon nanotube are reported. We discuss the angular orientation and plausible adsorbed states of molecules. It is shown, that suggested by Gotovac et al. orientation of adsorbed molecules is correct. © 2010 The Author(s).