Journal ArticleDOI
Anomalously Immobilized Water: A New Water Phase Induced by Confinement in Nanotubes
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TLDR
The authors showed that water confined to carbon nanotubes of a critical size under ambient conditions (1 bar, 300 K) can undergo a transition into a state having icelike mobility with an amount of hydrogen bonding similar to that in liquid water.Abstract:
Confinement can induce unusual behavior in the properties of matter. Using molecular dynamics simulations, we show here that water confined to carbon nanotubes of a critical size under ambient conditions (1 bar, 300 K) can undergo a transition into a state having icelike mobility with an amount of hydrogen bonding similar to that in liquid water. The onset of this behavior occurs rapidly, raising the possibility that confinement inside nanotubes, and perhaps even buckyballs, can provide an environment in which the dynamics of phase changes may be studied directly by simulation. Moreover, because of a variety of evidence suggesting that water ordering may modulate proton conductance via a “proton wire” hydrogen bonding network, the ability to modulate water ordering with geometry suggests a possible mechanism for a switchable nanoscale semiconductor.read more
Citations
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Chemistry of Carbon Nanotubes
TL;DR: Department of Materials Science, University of Patras, Greece, Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, and Dipartimento di Scienze Farmaceutiche, Universita di Trieste, Piazzale Europa 1, 34127 Triesteadays.
Journal ArticleDOI
Water as an Active Constituent in Cell Biology
TL;DR: The recent confirmation that there is at least one world rich in organic molecules on which rivers and perhaps shallow seas or bogs are filled with nonaqueous fluidsthe liquid hydrocarbons of Titan now bring some focus, even urgency, to the question of whether water is indeed a matrix of life.
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Why Are Carbon Nanotubes Fast Transporters of Water
Sony Joseph,Narayana R. Aluru +1 more
TL;DR: Using molecular dynamics simulations, water flow in (16,16) CNTs is investigated and it is shown that the enhanced flow rates over Hagen-Poiseuille flow arise from a velocity "jump" in a depletion region at the water nanotube interface and that the water orientations and hydrogen bonding at the interface significantly affect the flow rates.
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Noncovalent interactions of molecules with single walled carbon nanotubes
TL;DR: This critical review surveys non-covalent interactions of carbon nanotubes with molecular species from a chemical perspective, particularly emphasising the relationship between the structure and dynamics of these structures and their functional properties.
Journal ArticleDOI
Molecular simulation of water in carbon nanotubes.
TL;DR: This work describes the physical properties of carbon nanotubes as well as the theoretical models used to derive these properties, and shows how these properties can be modified to improve the quality of the research.
References
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Journal ArticleDOI
Helical microtubules of graphitic carbon
TL;DR: Iijima et al. as mentioned in this paper reported the preparation of a new type of finite carbon structure consisting of needle-like tubes, which were produced using an arc-discharge evaporation method similar to that used for fullerene synthesis.
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The missing term in effective pair potentials
TL;DR: On the other hand, in this paper, a superparamagnetically collapsed Mossbauer spectrum is obtained for carbon with fewer active sites, and these particles sinter and carburize in a manner more similar to that of Fe particles supported on graphite.
Journal ArticleDOI
GROMACS 3.0: a package for molecular simulation and trajectory analysis
TL;DR: The design includes an extraction of virial and periodic boundary conditions from the loops over pairwise interactions, and special software routines to enable rapid calculation of x–1/2.
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Band gap fluorescence from individual single-walled carbon nanotubes.
Michael J. O'Connell,Sergei M. Bachilo,Chad B. Huffman,Valerie C. Moore,Michael S. Strano,Erik H. Haroz,Kristy L. Rialon,Peter J. Boul,William H. Noon,Carter Kittrell,Jianpeng Ma,Jianpeng Ma,Robert H. Hauge,R. Bruce Weisman,Richard E. Smalley +14 more
TL;DR: At pH less than 5, the absorption and emission spectra of individual nanotubes show evidence of band gap–selective protonation of the side walls of the tube, which is readily reversed by treatment with base or ultraviolet light.
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Water conduction through the hydrophobic channel of a carbon nanotube
TL;DR: Observations suggest that carbon nanotubes, with their rigid nonpolar structures, might be exploited as unique molecular channels for water and protons, with the channel occupancy and conductivity tunable by changes in the local channel polarity and solvent conditions.