Issue 32, 2016

AB-stacked square-like bilayer ice in graphene nanocapillaries

Abstract

Water, when constrained between two graphene sheets and under ultrahigh pressure, can manifest dramatic differences from its bulk counterparts such as the van der Waals pressure induced water-to-ice transformation, known as the metastability limit of two-dimensional (2D) liquid. Here, we present result of a new crystalline structure of bilayer ice with the AB-stacking order, observed from molecular dynamics simulations of constrained water. This AB-stacked bilayer ice (BL-ABI) is transformed from the puckered monolayer square-like ice (pMSI) under higher lateral pressure in the graphene nanocapillary at ambient temperature. BL-ABI is a proton-ordered ice with square-like pattern. The transition from pMSI to BL-ABI is through crystal-to-amorphous-to-crystal pathway with notable hysteresis-loop in the potential energy during the compression/decompression process, reflecting the compression/tensile limit of the 2D monolayer/bilayer ice. In a superheating process, the BL-ABI transforms into the AB-stacked bilayer amorphous ice with the square-like pattern.

Graphical abstract: AB-stacked square-like bilayer ice in graphene nanocapillaries

Supplementary files

Article information

Article type
Communication
Submitted
06 May 2016
Accepted
11 Jul 2016
First published
11 Jul 2016
This article is Open Access
Creative Commons BY license

Phys. Chem. Chem. Phys., 2016,18, 22039-22046

AB-stacked square-like bilayer ice in graphene nanocapillaries

Y. Zhu, F. Wang, J. Bai, X. C. Zeng and H. Wu, Phys. Chem. Chem. Phys., 2016, 18, 22039 DOI: 10.1039/C6CP03061K

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements