Graphene in Ionic Liquids: Collective van der Waals Interaction and Hindrance of Self-Assembly Pathway

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• 作者：Yinghe Zhao ; Zhonghan Hu
• 刊名：Journal of Physical Chemistry B
• 出版年：2013
• 出版时间：September 12, 2013
• 年：2013
• 卷：117
• 期：36
• 页码：10540-10547
• 全文大小：431K
• 年卷期：v.117,no.36(September 12, 2013)
• ISSN：1520-5207

文摘

Over the past decade, there has been much controversy regarding the microscopic mechanism by which the 蟺-electron-rich carbon nanomaterials such as graphene and carbon nanotubes can be dispersed in ionic liquids. Through a combination of a quantum mechanical calculation on the level of density functional theory, an extensive molecular dynamics study on the time scale of microseconds, and a kinetic analysis at the experimental time scale, we have demonstrated that collective van der Waals forces between ionic liquids and graphene are able to describe both the short-ranged cation鈭捪€ interaction and the long-ranged dispersion interaction and this microscopic interaction drives two graphene plates trapped in their metastable state while two graphene plates easily self-assemble into graphite in water.