Inducing Different Functional Properties to the External and Internal Surfaces of Single-Walled Carbon Nanotubes

We report the results of our first principles study about inducing different functional properties to the external and internal surfaces of (5, 0) and (10, 0) single-walled carbon nanotubes. Nucleic acid base-uracil is adsorbed on the outer surface of the single-walled carbon nanotubes and the water molecules are getting inside the tube. Our result shows that uracil is physisorbed on carbon nanotube and interacts via pi electrons. The introduction of water molecules inside the nanotube modifies the nature and strength of interaction on the outer surface and the uracil is desorbed from the carbon nanotube. This process demonstrates the possibility of controlling the molecule on the outer surface by adding the suitable molecules to the interior of the tube and the usability of carbon nanotube for carrying and delivering drug and gene.