Atomic Scale Investigation of Nanoparticle and Fabrication Temperature Effects on Carbon Nanotube Diameter and Chirality

Abstract

Carbon nanotubes (CNTs) are one of the best candidates for utilizing in the future nanoelectronic devices. However, the semiconductivity property of CNTs varies as diameter and chirality number change. Several nanoelectronic applications require semiconductivity to be of a certain value with little variability. Therefore, it is necessary to reliably produce uniform CNTs with unique diameter and chirality. However, this still remains one of the challenging problems in the large scale production and application of CNTs. In this paper, the effect of fabrication temperature change on CNTs diameter and chirality are experimentally and theoretically studied. Utilizing chemical vapor deposition (CVD) fabrication process and by conducting experimental investigation, it is observed that a CNT possesses a larger diameter at its base compared to the section far away from deposited nanoparticles. Moreover, using MD simulation technique, it is observed that the energy of the CNTs molecular structure will increase by applying higher fabrication temperature. Usually this energy increase is greater in the thicker CNTs. However, the energy increase percentage is found to be affected by the chirality of the CNT. Among CNTs of the same diameter, the armchair conformation has the highest percent increase, followed by the chiral CNTs, and the zigzag nanotube has the lower percent increase. The obtained results can be utilized in a controllable CNTs diameter and chirality design process.