The Structure and Electronic Properties of C80 Carbon Nanotube
Zhong-Shuo Zhang, Xiu-Rong Zhang, Jiang Gu, Pan-Tao Ma
Available Online June 2014.
- https://doi.org/10.2991/icmsa-15.2015.111How to use a DOI?
- C80 carbon nanotube, Structure and stability, Electronic properties, Density functional theory.
- The possible geometrical and electronic structures of C80 carbon nano-tube (CNTs) are optimized by using the density functional theory at B3LYP/6-31G level. The stability of the ground state structure has been studied, and its electronic properties have been calculated. The calculate results showed that C atoms are sp2 hybridization, but the coalescent between the two C atoms includes covalent bond and a spot of electrovalent bond. The molecular orbitals of C80 Carbon Nanotube had obvious delocalization characteristics.
- Open Access
- This is an open access article distributed under the CC BY-NC license.
Cite this article
TY - CONF AU - Zhong-Shuo Zhang AU - Xiu-Rong Zhang AU - Jiang Gu AU - Pan-Tao Ma PY - 2014/06 DA - 2014/06 TI - The Structure and Electronic Properties of C80 Carbon Nanotube BT - 2015 International Conference on Material Science and Applications (icmsa-15) PB - Atlantis Press SP - 607 EP - 611 SN - 2352-541X UR - https://doi.org/10.2991/icmsa-15.2015.111 DO - https://doi.org/10.2991/icmsa-15.2015.111 ID - Zhang2014/06 ER -