• 文献标题:   Structure of water clusters on graphene: A classical molecular dynamics approach
  • 文献类型:   Article
  • 作  者:   MAEKAWA Y, SASAOKA K, YAMAMOTO T
  • 作者关键词:  
  • 出版物名称:   JAPANESE JOURNAL OF APPLIED PHYSICS
  • ISSN:   0021-4922 EI 1347-4065
  • 通讯作者地址:   Tokyo Univ Sci
  • 被引频次:   6
  • DOI:   10.7567/JJAP.57.035102
  • 出版年:   2018

▎ 摘  要

The microscopic structure of surface water adsorbed on graphene is elucidated theoretically by classical molecular dynamics simulation. At a low temperature (100 K), the main polygon consisting of hydrogen bonds in single-layered water on graphene is tetragonal, whereas the dominant polygons in double-layered water are tetragonal, pentagonal, and hexagonal. On the other hand, at room temperature, the tetragonal, pentagonal, and hexagonal water clusters are the main structures in both single- and double-layered water. (C) 2018 The Japan Society of Applied Physics