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Silicon carbide nanotube as a chloride-selective channel

Hilder, Tamsyn; Yang, Rui; Gordon, Daniel; Rendell, Alistair; Chung, Shin-Ho

Description

Using several computational techniques, we examine the conduction of water and ions through single-wall nanotubes of various radii, constructed from silicon carbide (SiC). In particular, using classical molecular dynamics, we examine the rate of water and ion conduction through the (5, 5), (6, 6), and (7, 7) SiC nanotubes 36 Å in length. We then determine the current-voltage-concentration profiles using distributional molecular dynamics. The (5, 5) SiC nanotube rejects all ions and conducts...[Show more]

CollectionsANU Research Publications
Date published: 2012
Type: Journal article
URI: http://hdl.handle.net/1885/51951
Source: Journal of Physical Chemistry C
DOI: 10.1021/jp2113335

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