Electrolytic Transport in Modified Carbon Nanotubes

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• 作者：Sony Joseph ; R. Jay Mashl ; Eric Jakobsson ; and N. R. Aluru
• 刊名：Nano Letters
• 出版年：2003
• 出版时间：October 2003
• 年：2003
• 卷：3
• 期：10
• 页码：1399 - 1403
• 全文大小：183K
• 年卷期：v.3,no.10(October 2003)
• ISSN：1530-6992

文摘

Molecular dynamics simulations were used to study ionic flow in carbon nanotubes with the goal of using carbon nanotubes as artificialprotein channels found in cell membranes. Previous simulations show that water and molten ions enter carbon nanotubes spontaneously. Oursimulations show that ion occupancy in a carbon nanotube solvated in an electrolyte is very low for a (16,16) uncapped tube. When partialcharges were placed on the rim atoms of the tube and an external electric field was applied, it was found that the ion occupancy increasedsignificantly. To mimic an ion channel in a membrane, functional groups were attached at the ends and the tube was placed in a slab. Thefunctionalized tube was found to conduct ions in the presence of an electric field. It is also shown that cationic or anionic selectivity couldbe obtained by symmetrical placement of the functional groups.