Publication Type : Journal Article
Thematic Areas : Center for Computational Engineering and Networking (CEN)
Publisher : NanoTrends
Source : NanoTrends (Nano Science and Technology Consortium), Volume 11, Number 1, p.18-21 (2011)
Campus : Amritapuri, Coimbatore
School : School of Biotechnology, School of Arts and Sciences
Center : Computational Engineering and Networking
Department : Center for Computational Engineering and Networking (CEN), Physics
Year : 2011
Abstract : 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.
Cite this Research Publication : A. Ranganath, Ashish, G., K Gopal, V., Narayanankutty Karuppath, Gopakumar, D., and P. K. Krishnan Namboori, “Electrical conductivity and thermodynamic stability of single walled carbon nanotube using first principles”, NanoTrends (Nano Science and Technology Consortium), vol. 11, pp. 18-21, 2011