College Park, Maryland      June 6 - 10 , 2004

M4-C3 (4:15 PM): Anomalously soft dynamics in nanotube-water: a revelation of nanoscale confinement (Invited)

A.I. Kolesnikov, C.-K. Loong, P. Thiyagarajan (Intense Pulsed Neutron Source, Argonne National Lab), J.-M. Zanotti (Intense Pulsed Neutron Source, Argonne National Lab; Laboratoire Léon Brillouin, C.E.A Saclay, 91191 Gif-sur-Yvette Cedex), C. Burnham (Department of Chemistry, University of Utah, Salt Lake City, Utah 84112), A.P. Moravsky, R.O. Loutfy (MER Corporation, 7960 South Kolb Road, Tucson, AZ 85706)

Quasi-one-dimensional water encapsulated inside single-walled open-ended carbon nanotubes, here referred to as nanotube-water, was studied by neutron scattering (ND, INS and QENS) at different temperatures and pressures. This study reveals that nanotube-water is a new state of water manifested by weak hydrogen bonds, extended intermolecular water-water and O-O distances, short O-H covalent bonds, very large amplitude of water molecules vibrations, and a continuous transition from solid to liquid state on heating. QENS study at high pressure also shows that at P = 0.14 GPa the effect of very large amplitude of water molecules vibrations in SWNT is suppressed at low temperatures. MD simulations of nanotubes-water well describe the observed INS spectra and give a possible structure of water inside single-walled carbon nanotubes

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