• 文献标题:   Structure of water adsorbed on a single graphene sheet
  • 文献类型:   Article
  • 作  者:   GORDILLO MC, MARTI J
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Univ Politecn Cataluna
  • 被引频次:   62
  • DOI:   10.1103/PhysRevB.78.075432
  • 出版年:   2008

▎ 摘  要

We present the result of molecular-dynamics simulations of water adsorbed on top of a single graphene layer at temperatures between 25 and 50 degrees C. The analysis of the energy per particle and the density profiles indicate that the behavior of the adsorbed liquid is similar to the case of multiple graphene layers (graphite) With the only difference being the values of configurational energy. Other structural properties, such as stability ranges, hydrogen bond distributions, and molecular orientations are also presented.