Issue 5, 2014

Ferroelectric hexagonal and rhombic monolayer ice phases

Abstract

Two new phases of water, the mid-density hexagonal monolayer ice and the high-density flat rhombic monolayer ice, are observed in our molecular dynamics simulations of monolayer water confined between two smooth hydrophobic walls. These are in addition to the two monolayer ices reported previously, namely, the low-density 4·82 monolayer ice and the high-density puckered rhombic monolayer ice (HD-pRMI). Stabilities of the structures are confirmed by ab initio computation. Importantly, both new phases and the HD-pRMI are predicted to be ferroelectric. An in-plane external electric field can further stabilize these ferroelectric monolayer ices.

Graphical abstract: Ferroelectric hexagonal and rhombic monolayer ice phases

Supplementary files

Article information

Article type
Edge Article
Submitted
09 Dec 2013
Accepted
06 Jan 2014
First published
07 Jan 2014
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY-NC license

Chem. Sci., 2014,5, 1757-1764

Author version available

Ferroelectric hexagonal and rhombic monolayer ice phases

W. Zhao, J. Bai, L. Yuan, J. Yang and X. C. Zeng, Chem. Sci., 2014, 5, 1757 DOI: 10.1039/C3SC53368A

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