• 文献标题:   Electric-field-induced structural changes in water confined between two graphene layers
  • 文献类型:   Article
  • 作  者:   FERNANDEZ MS, PEETERS FM, NEEKAMAL M
  • 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:   Shahid Rajaee Univ
  • 被引频次:   13
  • DOI:   10.1103/PhysRevB.94.045436
  • 出版年:   2016

▎ 摘  要

An external electric field changes the physical properties of polar liquids due to the reorientation of their permanent dipoles. Using molecular dynamics simulations, we predict that an in-plane electric field applied parallel to the channel polarizes water molecules which are confined between two graphene layers, resulting in distinct ferroelectricity and electrical hysteresis. We found that electric fields alter the in-plane order of the hydrogen bonds: Reversing the electric field does not restore the system to the nonpolar initial state, instead a residual dipole moment remains in the system. The square-rhombic structure of 2D ice is transformed into two rhombic-rhombic structures. Our study provides insights into the ferroelectric state of water when confined in nanochannels and shows how this can be tuned by an electric field.