New grafte d zigzag ( ۱۰,۰) carbon nanotu bes with two phosp horamide s

Up to now, nume rous studies have been carried out to investigate the various properties of carbo n nanotubes (CNTs) [۱] . Numerous computatio nal and ex perimental studies have been dedica ted to the investigations of the s ynthesis, properties and applicatio ns of the tu bular struct ures of both carbon an d non-carbon compoun ds [۲]. Rece ntly, the effect of one –OH group attached on the wall of the tube on electronic properties of SWCNT was studied using DFT method [۳].

کلیدواژه ها:

Phosp horamide ، Carbon nanotube ، ab initio calculatio ns ، NQR