• 文献标题:   The formation mechanism of multiple vacancies and amorphous graphene under electron irradiation
  • 文献类型:   Article
  • 作  者:   ZHAO RQ, ZHUANG JN, LIANG ZL, YAN TY, DING F
  • 作者关键词:  
  • 出版物名称:   NANOSCALE
  • ISSN:   2040-3364 EI 2040-3372
  • 通讯作者地址:   Nankai Univ
  • 被引频次:   12
  • DOI:   10.1039/c5nr00552c
  • 出版年:   2015

▎ 摘  要

The evolution of multiple vacancies (V(n)s) in graphene under electron irradiation (EI) was explored systematically by long time non-equilibrium molecular dynamics simulations, with n varying from 4 to 40. The simulations showed that the V(n)s form haeckelites in the case with small n, while forming holes as n increases. The scale of the haeckelites, characterized by the number of pentagon-heptagon pairs, grows linearly with n. Such a linear relationship can be interpreted as a consequence of compensating the missing area, caused by the V(n)s, in order to maintain the area of the perfect sp(2) network by self-healing. Beyond that, the scale of the haeckelite vs. the density of missing atoms is predicted to be S-h similar to 6D(n), where S-h and D-n are the percentage of non-hexagonal rings and missing atoms, respectively. This study provides an intuitive picture of the formation of amorphous graphene under EI and the quantitative understanding of the mechanism.