Figure 6

HOMO and LUMO energy level Kohn–Sham orbitals of (a) ADA molecule, (b) Ga-doped boron nitride nanotube, and (c) ADA/BNNT(Ga) complex.
HOMO and LUMO energy level Kohn–Sham orbitals of (a) ADA molecule, (b) Ga-doped boron nitride nanotube, and (c) ADA/BNNT(Ga) complex.