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Li-insertion into carbon nanotubes: Experiment and theory
VIBRATIONAL SPECTROSCOPY, 45 (2, SI): 103-107 (2007)Workshop on Foundations and Applications of Raman Spectroscopy, Ceara, BRAZIL, SEP 24-26, 2006.
DOI: 10.1016/j.vibspec.2007.05.005
Аннотация
Lithium-insertion during the arc discharge growth process is
investigated by using resonance Raman spectroscopy combined with ab
initio calculations. The measurements were performed using two pairs of
single-wall carbon nanotubes, one of the members being prepared
employing a lithium-contained catalyst and the other its lacking lithium
counterpart. The lowest wave number lines were observed as selective
resonances for the first pair for which a line occurs at 142.3 cm(-1)
from the Li-catalyst prepared sample and at 162.2 cm(-1) for the
non-lithium case. The remaining lines are seen in both samples. For the
second pair the first two lower-lying lines are selectively seen for the
non-lithium sample while for the lithium-contained catalyst case the two
highest wave number lines are selectively observed. These different
resonance conditions lead us to perform electronic property
calculations. The results show that this effect can be tracked to the
charge transfer occurring from lithium atoms inserted into the bundles.
Calculation shows that the transfer is limited to a Li-insertion rate of
Li6C68. (c) 2007 Elsevier B.V. All rights reserved.
тэги
- ab
- calculations;
- carbon
- charge
- effects;
- electronic
- initio
- nanotubes;
- nanotubes}
- of
- properties
- structural
- transfer
- {carbon
