@inproceedings{e71af19ce1ce436a862549b484a4005a,
title = "Water ordering by confinement in carbon nanotubes at 300K: Implications for possible design of proton-conducting nano-semiconductors",
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 {\AA}ngstroms. 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.",
keywords = "Biosensors, Hexagonal ice, Molecular dynamics simulation, Ordering transition, Proton conduction",
author = "Mashl, {R. J.} and S. Joseph and N. Aluru and E. Jakobsson",
year = "2003",
language = "English (US)",
isbn = "0972842209",
series = "2003 Nanotechnology Conference and Trade Show - Nanotech 2003",
pages = "152--153",
editor = "M. Laudon and B. Romanowicz",
booktitle = "2003 Nanotechnology Conference and Trade Show - Nanotech 2003",
note = "2003 Nanotechnology Conference and Trade Show - Nanotech 2003 ; Conference date: 23-02-2003 Through 27-02-2003",
}