Influence of Pyrazine Ring Doping on the ¹⁵N and ¹¹B NMR and Electronic Structure Parameters in Zigzag Boron Nitride Nanotube: A DFT Study

Figure 1

The front side view of perfect BNNTs model (a) and pyrazine-doped BNNTs models ((b)–(d)).

(a)

(b)

(c)

(d)