• 文献标题:   Water on graphene surfaces
  • 文献类型:   Article, Proceedings Paper
  • 作  者:   GORDILLO MC, MARTI J
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICSCONDENSED MATTER
  • ISSN:   0953-8984
  • 通讯作者地址:   Univ Pablo Olavide
  • 被引频次:   46
  • DOI:   10.1088/0953-8984/22/28/284111
  • 出版年:   2010

▎ 摘  要

In this paper, we summarize the main results obtained in our group about the behavior of water confined inside or close to different graphene surfaces by means of molecular dynamics simulations. These include the inside and outside of carbon nanotubes, and the confinement inside a slit pore or a single graphene sheet. We paid special attention to some thermodynamical (binding energies), structural (hydrogen-bond distributions) and dynamic (infrared spectra) properties, and their comparison to their bulk counterparts.