In the present work, we will investigate the possibility of
chemical functionalization of BNNT with sulfamide (H2NSO2NH2)
using density functional theory based on the analysis of the structures,
energies, electronic structures, and stability. The sulfamide
molecule is an acceptable functional group in medicinal chemistry
when incorporated into molecules, as it has the potential to form
several electrostatic interactions with proteins and other targets
[23]. The here obtained results are likely to be useful for further
studies related to the functionalization of the BNNTs as well as
construction of nano-devices