Ab initio study of 2,3,7,8-tetrachlorinated dibenzo-p-dioxin adsorption on single wall carbon nanotubes

The interaction of 2,3,7,8-tetrachlorinated dibenzo-p-dioxin (dioxin) with carbon nanotubes is analyzed by ab initio methods. It was found that the dioxin interacts with a pure carbon nanotubes although they depend on the geometry of the molecule approximation, increasing if the tube is defective.