Nuclear Magnetic Resonance Parameters of Pure and Diborinin-Doped (6,0) Single-Walled Zigzag BNNT: DFT Study

Figure 5

HOMO and LUMO orbitals for different models of the BNNTs; (a) pure model, (b) and (c) diborinin-doped models.

(a)  

(b)

(c)