• 文献标题:   Electrostatic studies of pi-pi interaction for benzene stacking on a graphene layer
  • 文献类型:   Article
  • 作  者:   SU YH, WU YK, TU SL, CHANG SJ
  • 作者关键词:   density functional theory, electrostatic, fermi surface, graphene, organic compound
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951 EI 1077-3118
  • 通讯作者地址:   Natl Dong Hwa Univ
  • 被引频次:   22
  • DOI:   10.1063/1.3653284
  • 出版年:   2011

▎ 摘  要

Recently, aromatic molecules have been stacked on graphene for applications in biosensors and chemical sensors, although the interaction between them is not well understood. In this paper, we use electrostatic model, double charge rings, and its image charges model to simulate the pi-pi interaction between benzene and a graphene layer. Furthermore, the results of our model are confirmed by the numerical results from density functional theory and experimental reviews. This model has potential for use in predicting the interactions between aromatic molecules and graphene. (C) 2011 American Institute of Physics. [doi:10.1063/1.3653284]