Probing water structures in nanopores using tunneling currents
Abstract
We study the effect of volumetric constraints on the structure and electronic transport properties of distilled water in a nanopore with embedded electrodes. Combining classical molecular dynamics simulations with quantum scattering theory, we show that the structural motifs water assumes inside the pore can be probed directly by tunneling. In particular, we show that the current does not follow a simple exponential curve at a critical pore diameter of about 8 {\AA}, rather it is larger than the one expected from simple tunneling through a barrier. This is due to a structural transition from bulk-like to "nanodroplet" water domains. Our results can be tested with present experimental capabilities to develop our understanding of water as a complex medium at nanometer length scales.
Cite
@article{arxiv.1305.3007,
title = {Probing water structures in nanopores using tunneling currents},
author = {P. Boynton and M. Di Ventra},
journal= {arXiv preprint arXiv:1305.3007},
year = {2014}
}
Comments
5 pages, 4 figures. v2: Fixed some figure bounding boxes and added some more details on the electric field implementation. v3: Added a comment on the effect of image forces