Ambient conditions disordered-ordered phase transition of two-dimensional interfacial water molecules dependent on charge dipole moment

Authors

Chunlei Wang, Chinese Academy of Sciences, University of Nebraska-Lincoln
Chonghai Qi, Chinese Academy of Sciences, Shandong University
Yusong Tu, Yangzhou University
Xuechuan Nie, Chinese Academy of Sciences
Shanshan Liang, Chinese Academy of Sciences

Document Type

Article

Date of this Version

6-3-2019

Citation

WANG, QI, TU, NIE, AND LIANG. PHYSICAL REVIEW MATERIALS 3, 065602 (2019). DOI: 10.1103/PhysRevMaterials.3.065602

Comments

Used by permission.

Abstract

Phase transitions of water molecules are commonly expected to occur only under extreme conditions, such as nanoconfinement, high pressure, or low temperature. We herein report the disordered-ordered phase transition of two-dimensional interfacial water molecules under ambient conditions using molecular-dynamics simulations. This phase transition is greatly dependent on the charge dipole moment, production of both charge values, and the dipole length of the solid surface. The phase transition can be identified by a sharp change in water-water interaction energies and the order parameters of the two-dimensional interfacial water monolayer, under a tiny dipole moment change near the critical dipole moment. The critical dipole moment of the solid material surface can classify a series of materials that can induce distinct ordered phases of surface water, which may also result in surface wetting, friction, and other properties.