Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 108, Issue 9, Pages 3481-3486Publisher
NATL ACAD SCIENCES
DOI: 10.1073/pnas.1010310108
Keywords
ab initio molecular dynamics; phase transition; supramolecular nanochannel
Categories
Funding
- National Natural Science Foundation of China [20825103, 20721001, 90922031]
- Ministry of Science and Technology of China [2007CB815304]
- National Science Foundation [CHE-0701540, CBET-1036171]
- Army Research Office [W911NF1020-099]
- Nebraska Research Initiative
- University of Nebraska's Holland Computing Center
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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 (H2O)(12n) wire confined to a 3D supramolecular architecture of [(Cu2CuII)-Cu-I(CDTA)(4,4'-bpy)(2)](n) 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.
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