Theoretical studies of nanostructures modeled by the binding of uracil derivatives to functionalized (5,5) carbon nanotubes

Novel nanostructures were modeled by the binding of uracil derivatives to functionalized carbon nanotubes. The physico-chemical, electronic and nonlinear properties were calculated by density functional theory. The results show that the modeled nanostructures are stable, soluble in water and very reactive. The thermodynamic analyses suggest that their syntheses are possible. The improvement of the electrical conductivity and nonlinear properties in comparison to those of the pristine nanotube reveals that these nanostructures are promising materials for nanotechnology applications.