Cited Article: Holt JK. Fast mass transport through sub-2-nanometer carbon nanotubes
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Number of Citing Articles: 1 new records this week (1 in this e-mail)
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AU Lin, Y
Shiomi, J
Maruyama, S
Amberg, G
AF Lin, Yuan
Shiomi, Junichiro
Maruyama, Shigeo
Amberg, Gustav
TI Dielectric relaxation of water inside a single-walled carbon nanotube
SO PHYSICAL REVIEW B
LA English
DT Article
ID MOLECULAR-DYNAMICS; LIQUID WATER; ICE-NANOTUBES; SIMULATIONS;
NANOSCALE; TRANSPORT; SPECTRA
AB We report a molecular dynamics study of anisotropic dynamics and
dielectric properties of water confined inside a single-walled carbon
nanotube (SWNT) at room temperature. The model includes dynamics of an
SWNT described by a realistic potential function. A comparison with
simulations assuming a rigid nanotube demonstrates that the popular
assumption severely overestimates the dielectric constant for small
diameter SWNTs. Simulations of water inside flexible SWNTs with various
diameters reveal strong directional dependence of the dynamic and
dielectric properties due to the confinement effect. The obtained
dielectric permittivity spectra (DPS) identify two different dipolar
relaxation frequencies corresponding to the axial and the
cross-sectional directions, which are significantly smaller and larger
than the single relaxation frequency of bulk water, respectively. The
frequency variation increases as the SWNT diameter decreases. The
results suggest that DPS can be used as a fingerprint of water inside
SWNTs to monitor the water intrusion into SWNTs.
C1 [Lin, Yuan] SINTEF Mat & Chem, Proc Technol Dept, N-7034 Trondheim, Norway.
[Shiomi, Junichiro; Maruyama, Shigeo] Univ Tokyo, Dept Mech Engn, Bunkyo Ku, Tokyo 1138656, Japan.
[Amberg, Gustav] Royal Inst Technol, Linne FLOW Ctr, Dept Mech, S-10044 Stockholm, Sweden.
RP Lin, Y, SINTEF Mat & Chem, Proc Technol Dept, Alfred Getz Vei 2, N-7034
Trondheim, Norway.
EM yuan.lin@sintef.no
shiomi@photon.t.u-tokyo.ac.jp
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NR 33
TC 0
PU AMER PHYSICAL SOC; ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 1098-0121
DI 10.1103/PhysRevB.80.045419
PD JUL
VL 80
IS 4
AR 045419
SC Physics, Condensed Matter
GA 478WA
UT ISI:000268618100105
ER
EF
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