Theoretical Investigation on the Solubilization in Water of Functionalized Single-Wall Carbon Nanotubes
Figure 6
Spatial distribution of the HOMO orbitals for (a) the C60H20 nanotube and (b) the nanotube radical with a missing H atom from the tip C60H19. The wave function isosurfaces of values +0.01 and −0.01 (e/Å3)1/2 are shown in red and green, respectively.
