Water and proton conduction through carbon nanotubes as models for biological channels

Fangqiang Zhu, Klaus Schulten

Research output: Contribution to journalArticle

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 languageEnglish (US)
Pages (from-to)236-244
Number of pages9
JournalBiophysical journal
Volume85
Issue number1
DOIs
StatePublished - Jul 1 2003

ASJC Scopus subject areas

  • Biophysics

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