Transition from one-dimensional water to ferroelectric ice within a supramolecular architecture
- 14 February 2011
- journal article
- Published by Proceedings of the National Academy of Sciences in Proceedings of the National Academy of Sciences of the United States of America
- Vol. 108 (9), 3481-3486
- https://doi.org/10.1073/pnas.1010310108
Abstract
Ferroelectric materials are characterized by spontaneous electric polarization that can be reversed by inverting an external electric field. Owing to their unique properties, ferroelectric materials have found broad applications in microelectronics, computers, and transducers. Water molecules are dipolar and thus ferroelectric alignment of water molecules is conceivable when water freezes into special forms of ice. Although the ferroelectric ice XI has been proposed to exist on Uranus, Neptune, or Pluto, evidence of a fully proton-ordered ferroelectric ice is still elusive. To date, existence of ferroelectric ice with partial ferroelectric alignment has been demonstrated only in thin films of ice grown on platinum surfaces or within microdomains of alkali-hydroxide doped ice I. Here we report a unique structure of quasi-one-dimensional (H(2)O)(12n) wire confined to a 3D supramolecular architecture of H(4)CDTA, trans-1,2-diaminocyclohexane-N,N,N',N'-tetraacetic acid; 4,4'-bpy, 4,4'-bipyridine). In stark contrast to the bulk, this 1D water wire not only exhibits enormous dielectric anomalies at approximately 175 and 277 K, respectively, but also undergoes a spontaneous transition between "1D liquid" and "1D ferroelectric ice" at approximately 277 K. Hitherto unrevealed properties of the 1D water wire will be valuable to the understanding of anomalous properties of water and synthesis of novel ferroelectric materials.Keywords
This publication has 44 references indexed in Scilit:
- A Porous Coordination‐Polymer Crystal Containing One‐Dimensional Water Chains Exhibits Guest‐Induced Lattice Distortion and a Dielectric AnomalyAngewandte Chemie-International Edition, 2008
- Multiwalled ice helixes and ice nanotubesProceedings of the National Academy of Sciences of the United States of America, 2006
- Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approachComputer Physics Communications, 2005
- Accurate description of van der Waals complexes by density functional theory including empirical correctionsJournal of Computational Chemistry, 2004
- Structures and Solid‐State Dynamics of One‐Dimensional Water Chains Stabilized by Imidazole ChannelsAngewandte Chemie-International Edition, 2003
- Water conduction through the hydrophobic channel of a carbon nanotubeNature, 2001
- Ferroelectricity in Water IceThe Journal of Physical Chemistry B, 1998
- Relativistic separable dual-space Gaussian pseudopotentials from H to RnPhysical Review B, 1998
- A hybrid Gaussian and plane wave density functional schemeMolecular Physics, 1997
- Charge equilibration for molecular dynamics simulationsThe Journal of Physical Chemistry, 1991