TY - JOUR
T1 - Structures and electronic transport of water molecular nanotubes embedded in carbon nanotubes
AU - Li, H.
AU - Zhang, X. Q.
AU - Liew, K. M.
PY - 2008
Y1 - 2008
N2 - In this paper, ice nanotubes confined in carbon nanotubes are investigated by molecular dynamics. The trigonal, square, pentagonal, and hexagonal water tubes are obtained, respectively. The current-voltage (I-V) curves of water nanotubes are found to be nonlinear, and fluctuations of conductance spectra of these ice nanotubes show that the transport properties of ice nanotubes are quite different from those of bulk materials. Our studies indicate that the conductance gap of ice nanotube is related to the difference value from the Fermi energy EF to the nearest molecular energy level E0. Increasing the diameter of a water molecular nanostructure results in the increase of the conductance. © 2008 American Institute of Physics.
AB - In this paper, ice nanotubes confined in carbon nanotubes are investigated by molecular dynamics. The trigonal, square, pentagonal, and hexagonal water tubes are obtained, respectively. The current-voltage (I-V) curves of water nanotubes are found to be nonlinear, and fluctuations of conductance spectra of these ice nanotubes show that the transport properties of ice nanotubes are quite different from those of bulk materials. Our studies indicate that the conductance gap of ice nanotube is related to the difference value from the Fermi energy EF to the nearest molecular energy level E0. Increasing the diameter of a water molecular nanostructure results in the increase of the conductance. © 2008 American Institute of Physics.
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U2 - 10.1063/1.2823731
DO - 10.1063/1.2823731
M3 - RGC 21 - Publication in refereed journal
SN - 0021-9606
VL - 128
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 3
M1 - 34707
ER -