• 文献标题:   Formation of Trilayer Ices in Graphene Nanocapillaries under High Lateral Pressure
  • 文献类型:   Article
  • 作  者:   ZHU YB, WANG FC, BAI J, ZENG XC, WU HA
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447
  • 通讯作者地址:   Univ Sci Technol China
  • 被引频次:   10
  • DOI:   10.1021/acs.jpcc.6b00258
  • 出版年:   2016

▎ 摘  要

Using molecular dynamics simulation, we investigate the phase behavior of water confined in graphene nanocapillaries at room temperature (300 K). Here, the lateral pressure P-zz is used as the primary controlling variable, and its effect on the behavior of trilayer water is systematically studied. Three (meta)stable trilayer (TL) crystalline/amorphous ice phases, namely, TL-ABAI, TL-ABA, and TL-AAAI, are observed in our simulations with the lateral pressure in the range of 1.0 GPa