Water ordering by confinement in carbon nanotubes at 300K: Implications for possible design of proton-conducting nano-semiconductors

R. J. Mashl, S. Joseph, N. Aluru, E. Jakobsson

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

In considering charge carriers for nanoscale semiconductors, electrons have the disadvantage of tunneling distances of nanometers, rendering distinction between "on" and "off" states problematic. Protons in water, on the other hand, tunnel between adjacent water molecules over the length of just a few Ångstroms. Using classical molecular dynamics simulations, we have observed ordering of water molecules at 300 K inside unmodified carbon nanotubes, providing pathways along which protons might be able to tunnel. In this ordered state the water was computed to have translational and rotational mobilities substantially reduced from those for bulk water. Our results suggest that proton conduction be considered further a possible conduction mechanism for use in nanoscale semiconductors.

Original languageEnglish (US)
Title of host publication2003 Nanotechnology Conference and Trade Show - Nanotech 2003
EditorsM. Laudon, B. Romanowicz
Pages152-153
Number of pages2
StatePublished - Dec 1 2003
Event2003 Nanotechnology Conference and Trade Show - Nanotech 2003 - San Francisco, CA, United States
Duration: Feb 23 2003Feb 27 2003

Publication series

Name2003 Nanotechnology Conference and Trade Show - Nanotech 2003
Volume1

Other

Other2003 Nanotechnology Conference and Trade Show - Nanotech 2003
CountryUnited States
CitySan Francisco, CA
Period2/23/032/27/03

Keywords

  • Biosensors
  • Hexagonal ice
  • Molecular dynamics simulation
  • Ordering transition
  • Proton conduction

ASJC Scopus subject areas

  • Engineering(all)

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