Journal
CHEMICAL SCIENCE
Volume 5, Issue 5, Pages 1757-1764Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3sc53368a
Keywords
-
Categories
Funding
- MOST [2011CB921400]
- NSFC [20603032, 20733004, 91021004, 20933006, 21121003, 2123307]
- Fundamental Research Funds for the Central Universities [WK2340000006, WK2060140005, WK2060030012]
- CAS [XDB01020300]
- USTCSCC
- UNL Research Council
- NSF [CBET-1066947, CHE-1306326]
- ARL [W911NF1020099]
- Nebraska Research Initiative
- USTC
- Division Of Chemistry [1306326] Funding Source: National Science Foundation
Ask authors/readers for more resources
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 4.8(2) 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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available