• 文献标题:   On the nature of the stacking interaction between two graphene layers
  • 文献类型:   Article
  • 作  者:   WANG WZ, ZHANG Y, SUN T, WANG YB
  • 作者关键词:  
  • 出版物名称:   CHEMICAL PHYSICS LETTERS
  • ISSN:   0009-2614 EI 1873-4448
  • 通讯作者地址:   Luoyang Normal Univ
  • 被引频次:   5
  • DOI:   10.1016/j.cplett.2014.12.024
  • 出版年:   2015

▎ 摘  要

The interlayer interaction energy and its components of the bilayer graphene were obtained by extrapolation of the interlayer interaction energies and their components of the dimers formed by graphene with benzene, naphthalene, anthracene, phenanthrene, pyrene, tetracene, perylene, pentacene and hexacene. The resulting interaction energy of the bilayer graphene is -1.82 kcal/mol (or -79 meV) per carbon atom. The dispersion energy represents 70% of the total attractive energy between two graphene layers. In contrast, the electrostatic component is responsible for 25% of the total attractive interaction and the induction term contributes 5% to the stability of two graphene layers. (C) 2014 Elsevier B.V. All rights reserved.