Anomalously soft dynamics of water in carbon nanotubes

ORAL

Abstract

Quasi-one-dimensional water encapsulated inside single-wall carbon nanotubes, here referred to as nanotube-water, was studied by neutron diffraction, inelastic and quasielastic neutron scattering. The study reveals that nanotube-water is a new state of water manifested by weak hydrogen bonds, extended intermolecular water-water distances and very large amplitude of water molecules vibrations. Molecular dynamics simulations well describe the observed spectra and give a possible nanotube- water structure in a form of a square-ice sheet wrapped into a cylinder next to the inner carbon nanotube wall and a water chain in the interior. The soft dynamics of nanotube-water arises mainly from the drastic change in hydrogen-bond connectivity of the central water-chain.

Authors

  • Alexander Kolesnikov

  • Chun-Keung Loong

  • Nicolas de Souza

    • Intense Pulsed Neutron Source Division, Argonne National Laboratory, 9700 S. Cass Ave., Argonne, IL 60439, USA
  • Christian Burnham

    • Department of Chemistry, University of Utah, Salt Lake City, UT 84112, USA
  • Alexander Moravsky

  • Raouf Loutfy

    • MER Corporation, 7960 South Kolb Road, Tucson, AZ 85706, USA