title: Theoretical study on the peanut-shaped dimers and nanotubes consisted of C50 cages.
abstract: The structures and electronic properties of the peanut-shaped dimers and nanotubes consisted of C50 cages are investigated based on the ab initio self-consistent field molecular and crystal orbital calculations. It is found that the formation of peanut-shaped dimers is energeticlly favorable. The corresponding peanut-shaped nanotubes are semiconductors due to existence of the energy gaps. These peanut-shaped nanotubes are predicted to have smaller Young moduli than the single-walled carbon nanotube. The anionic peanut-shaped nanotubes are also calculated in this paper, as well as the infrared spectra of the peanut-shaped dimers.
authors.affiliation: College of Chemistry, Beijing Normal University, Beijing 100875, China.
authors.forename: Hongcun
authors.initials: H
authors.lastname: Bai
authors.forename: Weiye
authors.initials: W
authors.lastname: Qiao
authors.forename: Guo
authors.initials: G
authors.lastname: Wang
authors.forename: Yuanhe
authors.initials: Y
authors.lastname: Huang