• 文献标题:   Molecular Dynamics Study of the Interfacial Structure of Water and Graphene: Density and Pressure Profile Analysis
  • 文献类型:   Article
  • 作  者:   YOON HM, LEE JS, LEE JS
  • 作者关键词:   atomic force microscopy, nanoroughnes, graphene, molecular dynamic
  • 出版物名称:   JOURNAL OF NANOSCIENCE NANOTECHNOLOGY
  • ISSN:   1533-4880 EI 1533-4899
  • 通讯作者地址:   Yonsei Univ
  • 被引频次:   1
  • DOI:   10.1166/jnn.2016.13288
  • 出版年:   2016

▎ 摘  要

Recent study suggested a novel method of the measurement of nanoroughness using single layer graphene. However, the detail relations of various parameters including density, pressure, and nanoroughness have not been studied. In this study, a liquid water surface was covered with monolayer graphene and thus the nanoroughness of the liquid surface was transferred to the graphene monolayer. We applied a normal force to the graphene surface to control the interlayer distance between the water and the graphene. The results show that the density and pressure profile of the interface between graphene and water agree with previous studies. The relationship between the density and pressure profiles can be explained via the kinetics of water molecules located at the interface. The vertical and in-plane components of the pressure profile exhibit opposite behaviors in the interface region, which induced a large pressure difference. Finally, the relationship between the transferred roughness and the interlayer distance between water and graphene was analyzed.