Electric field induced orientation-selective unzipping of zigzag carbon nanotubes upon oxidation

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...

Full description

Saved in:
Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2013-05, Vol.15 (17), p.6431-6436
Main Authors: Chen, Chi, Miao, Ling, Xu, Kui, Yao, Jie, Li, Chenyang, Jiang, Jianjun
Format: Article
Language:English
Subjects:
Carbon nanotubes
Chains
Chemical bonds
Cross-disciplinary physics: materials science
rheology
Electric fields
Electromagnetic Fields
Exact sciences and technology
Graphene
Materials science
Nanomaterials
Nanostructure
Nanotubes, Carbon - chemistry
Oxidation
Oxidation-Reduction
Physics
Specific materials
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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.
ISSN:1463-9076
1463-9084
DOI:10.1039/c3cp50474c