Nitrogen-doped (6, 0) carbon nanotubes: A comparative DFT study based on surface reactivity descriptors

The evaluated electrostatic potential map for N-doped (6, 0) CNT. Color ranges in kcal/mol: red >18.10, yellow 6.54-18.10, green −5.01 to 18.10, blue <−5.01. Black circles surface maxima, blue surface minima.