The Ga-doped BNNT is
applied to overcome this drawback. In this area some studies exhibited
that the higher sensitivity of BNNT toward gas molecules could
be resulted by doping metal atoms [19]. The Ga-doped BNNT can
meaningfully change its electronic properties that greatly enhance
its sensing capability. The aim of the studies were to investigate
whether the interaction of H2S, HS, H2O2, and H2CO molecules upon
the Ga-doped (8, 0) and (5, 5) BN nanotubes can be strong enough
to introduce them as suitable gas sensors using DFT simulations.