Quantum Mechanical Characterization of Single Walled Carbon Nanotube (SWCNT) to Evaluate Stability and Conductivity
Advances in Computer Engineering, International Conference on (2010)
June 20, 2010 to June 21, 2010
DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/ACE.2010.79
Single Walled Carbon Nanotube (SWCNT) is known to have unique thermodynamic and electrical properties which mainly depends upon the chiral index values (n, m). Quantum mechanical modeling and simulation studies were conducted for these samples to characterize the above properties. The energy gap of conducting carbon nano tubes has been found to be negligibly small. Armchair configuration with (n=m) is found to be highly stable. All these samples are found to be conducting. Structures with n and m values (8,7), (7,8), (7,6), (7,2), (6,5), (5,3) (4,5) and (3,5) are found to be unstable and are all semiconductors.
SWCNT, Computational modeling and simulation, armchair configuration, thermodynamic properties, chiral index, electrical conductivity
K. N. P.K., V. G. K., K. N. Kutty, D. Gopakumar, A. G. and A. Ranganath, "Quantum Mechanical Characterization of Single Walled Carbon Nanotube (SWCNT) to Evaluate Stability and Conductivity," 2010 International Conference on Advances in Computer Engineering (ACE), Bangalore, 2010, pp. 39-42.