Unzipping carbon nanotubes into nanoribbons upon oxidation : a first-principles study

• Main Authors: Li, Feng, Kan, Erjun, Lu, Ruifeng, Xiao, Chuanyun, Deng, Kaiming, Su, Haibin
• 其他作者: School of Materials Science & Engineering
• 格式: Article
• 語言: English
• 出版: 2013
• 在線閱讀: https://hdl.handle.net/10356/97446; http://hdl.handle.net/10220/10746

First-principles calculations are performed to investigate the unzipping mechanism of carbon nanotubes (CNTs) into narrow graphene nanoribbons (GNRs) upon oxidation. By treating possible adsorptive structures, we found that, upon further oxidation, epoxy pairs tear the CNT up with an initial energy...