Anomalously soft dynamics of water in carbon nanotubes

A. I. Kolesnikov; C. K. Loong; N. R. de Souza; C. J. Burnham; A. P. Moravsky

doi:10.1016/j.physb.2006.05.065

Anomalously soft dynamics of water in carbon nanotubes

A. I. Kolesnikov, C. K. Loong, N. R. de Souza, C. J. Burnham, A. P. Moravsky

Research output: Contribution to journal › Article › peer-review

26 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	272-274
Number of pages	3
Journal	Physica B: Physics of Condensed Matter
Volume	385-386 I
DOIs	https://doi.org/10.1016/j.physb.2006.05.065
State	Published - Nov 27 2006
Externally published	Yes

Funding

The work performed at the Intense Pulsed Neutron Source was supported by the Office of Basic Energy Sciences, Division of Materials Sciences, US Department of Energy, under Contract no. W-31-109-ENG-38.

Funders	Funder number
Office of Basic Energy Sciences
US Department of Energy
Division of Materials Sciences and Engineering

Keywords

Carbon nanotubes
Nanoscale confinement
Water

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10.1016/j.physb.2006.05.065

Cite this

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title = "Anomalously soft dynamics of water in carbon nanotubes",

abstract = "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.",

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AU - Kolesnikov, A. I.

AU - Loong, C. K.

AU - de Souza, N. R.

AU - Burnham, C. J.

AU - Moravsky, A. P.

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Anomalously soft dynamics of water in carbon nanotubes

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