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Publication Type : Conference Paper
Publisher : ACE 2010 - 2010 International Conference on Advances in Computer Engineering
Source : ACE 2010 - 2010 International Conference on Advances in Computer Engineering, Bangalore, 2010, pp. 39-42
ISBN : 9780769540580
Keywords : Armchair configuration, Carbon nanotubes, Chiral index, Computational modeling and simulation, Computer simulation, electric conductivity, Electrical conductivity, Mechanical properties, Quantum theory, Single-walled carbon nanotubes (SWCN), SWCNT, Thermodynamic properties
Campus : Amritapuri
School : School of Engineering
Center : Computational Chemistry, Computational Engineering and Networking
Department : Center for Computational Engineering and Networking (CEN)
Year : 2010
Abstract : pSingle 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. © 2010 IEEE./p
Cite this Research Publication : A. Ranganath, Ashish, G., K. Gopal, V., Kutty, K. N., P. K. Krishnan Namboori, and Gopakumar, D., “Quantum mechanical characterization of Single Walled Carbon Nanotube (SWCNT) to evaluate stability and conductivity”, in ACE 2010 - 2010 International Conference on Advances in Computer Engineering, Bangalore, 2010, pp. 39-42.