Electrostatic studies of π-π Interaction for benzene stacking on a graphene layer

Yen Hsun Su, Yang Kai Wu, Sheng Lung Tu, Shoou Jinn Chang

研究成果: Article同行評審

37 引文 斯高帕斯(Scopus)

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 - 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.

原文English
文章編號163102
期刊Applied Physics Letters
99
發行號16
DOIs
出版狀態Published - 2011 十月 17

All Science Journal Classification (ASJC) codes

  • 物理與天文學(雜項)

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