• 文献标题:   Water on graphene: Hydrophobicity and dipole moment using density functional theory
  • 文献类型:   Article
  • 作  者:   LEENAERTS O, PARTOENS B, PEETERS FM
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Univ Antwerp
  • 被引频次:   204
  • DOI:   10.1103/PhysRevB.79.235440
  • 出版年:   2009

▎ 摘  要

We apply density-functional theory to study the adsorption of water clusters on the surface of a graphene sheet and find i) graphene is highly hydrophobic and ii) adsorbed water has very little effect on the electronic structure of graphene. A single water cluster on graphene has a very small average dipole moment which is in contrast with an ice layer that exhibits a strong dipole moment.