تفاصيل الرسالة العلمية

Due to the importance of researching in carbon nanotubes field, this thesis evaluate the effect of tensile strength on pristine carbon nanotube, boron-doped carbon nanotube, nitrogen-doped carbon nanotube and co-doped carbon nanotube with boron and nitrogen. We actually used density functional implemented in a well-known Materials Studio commercial software. We tested the electrical properties after adding boron, nitrogen, boron-nitrogen to the original pristine carbon nanotubes and we applied stress beginning from 0.99 to 0.90 and strain from 1.01 to 1.10 as well. Many calculations were done such as band gap, band structure, density of states, Fermi energy, valence bands, conduction bands and total energy. We also depicted our results through graphing. We found that all defects have a significant impaction on electrical properties of carbon nanotubes