Abstract
Carbon nanotubes, unmodified (pristine) and modified through charged atoms, were simulated in water, and their water conduction rates determined. The conducted water inside the nanotubes was found to exhibit a strong ordering of its dipole moments. In pristine nanotubes the water dipoles adopt a single orientation along the tube axis with a low flipping rate between the two possible alignments. Modification can induce in nanotubes a bipolar ordering as previously observed in biological water channels. Network thermodynamics was applied to investigate proton conduction through the nanotubes.
Original language | English (US) |
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Pages (from-to) | 236-244 |
Number of pages | 9 |
Journal | Biophysical journal |
Volume | 85 |
Issue number | 1 |
DOIs | |
State | Published - Jul 1 2003 |
Externally published | Yes |
ASJC Scopus subject areas
- Biophysics