화학공학소재연구정보센터
Chemical Physics Letters, Vol.620, 46-49, 2015
On the nature of the stacking interaction between two graphene layers
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.