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Carbon nanotube screening effects on the water-ion channels Yang Xu and N. R. Alurua
 

Summary: Carbon nanotube screening effects on the water-ion channels
Yang Xu and N. R. Alurua
Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign,
Urbana, Illinois 61801, USA
Received 9 May 2008; accepted 3 July 2008; published online 31 July 2008
A self-consistent tight-binding method is used to investigate the screening effects of semiconducting
and metallic single-wall carbon nanotubes SWCNTs when the water molecules and various
charged ions pass through the nanotubes. The trajectories of ions and water molecules are obtained
from molecular dynamics simulations. It is shown that metallic SWCNTs have much stronger
screening abilities than semiconducting SWCNTs. Our results indicate that it is possible to distinctly
identify different ions and also to differentiate between armchair and zig-zag nanotubes. 2008
American Institute of Physics. DOI: 10.1063/1.2963975
Carbon nanotubes CNTs have many exquisite proper-
ties that can be exploited to develop next generation devices
with high sensitivity, fast response, low cost, and large vol-
ume production.1,2
Recently, CNT membranes have been
demonstrated as ultraefficient gas and liquid transporters.3
The flow of a liquid on single-walled CNT SWCNT
bundles has been shown to induce a voltage in the sample

  

Source: Aluru, Narayana R. - Department of Mechanical and Industrial Engineering, University of Illinois at Urbana-Champaign

 

Collections: Engineering; Materials Science