• 文献标题:   Detailed formation processes of stable dislocations in graphene
  • 文献类型:   Article
  • 作  者:   LEE GD, YOON E, HE K, ROBERTSON AW, WARNER JH
  • 作者关键词:  
  • 出版物名称:   NANOSCALE
  • ISSN:   2040-3364 EI 2040-3372
  • 通讯作者地址:   Seoul Natl Univ
  • 被引频次:   15
  • DOI:   10.1039/c4nr04718d
  • 出版年:   2014

▎ 摘  要

We use time-dependent HRTEM to reveal that stable dislocation pairs in graphene are formed from an initial complex multi-vacancy cluster that undergoes multiple bond rotations and adatom incorporation. In the process, it is found that the transformation from the formed complex multi-vacancy cluster can proceed without the increase of vacancy because many atoms and dimers are not only evaporated but also actively adsorbed. In tight-binding molecular dynamics simulations, it is confirmed that adatoms play an important role in the reconstruction of non-hexagonal rings into hexagonal rings. From density functional theory calculations, it is also found from simulations that there is a favorable distance between two dislocations pointing away from each other (i.e. formed from atom loss). For dislocation pairs pointing away from each other, the hillock-basin structure is more stable than the hillock-hillock structure for dislocation pairs pointing away from each other (i.e. formed from atom loss).