title: Electric field induced orientation-selective unzipping of zigzag carbon nanotubes upon oxidation.
abstract: The mechanism of electric field induced orientation-selective unzipping of carbon nanotubes into carbon nanoribbons upon oxidation is studied based on first-principles calculations. Under a controlled external electric field, the initial sparse O atoms are ordered to attack the transverse C-C bonds along a certain side of the carbon nanotube instead of a random site. In addition, the next O atoms tend to follow each initial O atom and stand on the adjacent transverse C-C bonds on this side, sequentially and automatically leading to a linear epoxy chain. Besides, it is noteworthy that an effortless O diffusion with reduced energy barriers allows the regular arrangement of an epoxy chain due to electron doping under a suitable electric field. An easier process for the unzipping of carbon nanotubes and longer graphene nanoribbons with smoother edges is expected under an external electric field.
authors.affiliation: School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, Hubei 430074, People's Republic of China.
authors.forename: Chi
authors.initials: C
authors.lastname: Chen
authors.forename: Ling
authors.initials: L
authors.lastname: Miao
authors.forename: Kui
authors.initials: K
authors.lastname: Xu
authors.forename: Jie
authors.initials: J
authors.lastname: Yao
authors.forename: Chenyang
authors.initials: C
authors.lastname: Li
authors.forename: Jianjun
authors.initials: J
authors.lastname: Jiang
mesh_terms: D004574:Electromagnetic Fields; D037742:Nanotubes, Carbon / Q000737:chemistry*; D010084:Oxidation-Reduction
chemical_list: D037742:Nanotubes, Carbon