• 文献标题:   Opening carbon nanotubes into zigzag graphene nanoribbons by energy-optimum oxidation
  • 文献类型:   Article
  • 作  者:   GUO YF, JIANG L, GUO WL
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Nanjing Univ Aeronaut Astronaut
  • 被引频次:   21
  • DOI:   10.1103/PhysRevB.82.115440
  • 出版年:   2010

▎ 摘  要

Narrow zigzag graphene nanoribbons are found to have exceptional electronic and magnetic properties but difficult to fabricate. We show by density-functional calculations and an elastic mechanical model that oxygen atoms have strong energetic favorability to adsorb on small-diameter carbon nanotubes and form unzipped C-O-C epoxy chains along a direction of minimum angle to the tube axis. With other oxygen atoms further attacking, the unzipping epoxy chain formed on the energy-optimum direction of the nanotube is broken into carbonyl pairs. These results promise that unique zigzag graphene nanoribbons could be fabricated by oxidization of small-diameter carbon nanotubes with arbitrary chiralities according to the minimum energy principle.