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Transport properties and induced voltage in the structure of water-filled single-walled boron-nitrogen nanotubes.


ABSTRACT: Density functional theorymolecular dynamics simulations were employed to give insights into the mechanism of voltage generation based on a water-filled single-walled boron-nitrogen nanotube (SWBNNT). Our calculations showed that (1) the transport properties of confined water in a SWBNNT are different from those of bulk water in view of configuration, the diffusion coefficient, the dipole orientation, and the density distribution, and (2) a voltage difference of several millivolts would generate between the two ends of a SWBNNT due to interactions between the water dipole chains and charge carriers in the tube. Therefore, this structure of a water-filled SWBNNT can be a promising candidate for a synthetic nanoscale power cell as well as a practical nanopower harvesting device.

SUBMITTER: Yuan Q 

PROVIDER: S-EPMC2717580 | biostudies-other | 2009 Jun

REPOSITORIES: biostudies-other

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