تفاصيل الرسالة العلمية

In this research project, density functional theory was implemented to study structural and electronic properties of boron nitride nanotubes with different orientations of Stone Wales defects for three types of boron nitride nanotube i.e. zigzag (10, 0), armchair (6, 6), and chiral (8, 4), respectively. Stone Wales defects we created by selecting different B-N bonds and rotate them by 90o. The electronic properties were also illustrated by evaluating the band gap energies at each possible structure. Also, we calculated partial density of state to all possible structure of boron nitride nanotube. We studied the changes in the Fermi energy, valence bands, and conduction bands. We found that Stone Wales defects orientation play a crucial rule on modifying the electrical properties of boron-nitride nanotubes