Anomalously soft dynamics of water in carbon nanotubes

The structure and dynamics of water confined to the one-dimensional nanotube interior are found to be drastically altered with respect to bulk water. Neutron diffraction, inelastic and quasielastic neutron scattering measurements in parallel with MD simulations have clearly shown the entry of water...

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Bibliographic Details
Published in:Physica. B, Condensed matter Condensed matter, 2006-11, Vol.385, p.272-274
Main Authors: Kolesnikov, A.I., Loong, C.-K., de Souza, N.R., Burnham, C.J., Moravsky, A.P.
Format: Article
Language:English
Subjects:
Carbon nanotubes
Nanoscale confinement
Water
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Summary:The structure and dynamics of water confined to the one-dimensional nanotube interior are found to be drastically altered with respect to bulk water. Neutron diffraction, inelastic and quasielastic neutron scattering measurements in parallel with MD simulations have clearly shown the entry of water into open-ended single-wall carbon nanotubes and identified an ice-shell plus central water-chain structure. The observed extremely soft dynamics of nanotube-water arises mainly from a qualitatively large reduction in the hydrogen-bond connectivity of the water chain. Anomalously enhanced thermal motions in the water chain, modeled by a low-barrier, flattened, highly anharmonic potential well, explain the large mean-square displacement of hydrogen and the fluid-like behavior of nanotube-water at temperatures far below the nominal freezing point.
ISSN:0921-4526
1873-2135
DOI:10.1016/j.physb.2006.05.065