Electrostatic studies of pi-pi interaction for benzene stacking on a graphene layer - art. no. 163102

[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]

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