| Original Articles |
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Single-Walled Carbon Nanotubes Acting as Controllable Transport Channels |
| HUANG Bo-Da1;XIA Yue-Yuan2;ZHAO Ming-Wen2;LI Feng2;LIU Xiang-Dong2;JI Yan-Ju2;SONG Chen2;TAN Zhen-Yu3;LIU Hui4 |
| 1School of Information Science and Engineering, Shandong University, Jinan Shandong 250100
2School of Physics and Microelectronics, Shandong University, Jinan 250100
3School of Electrical Engineering, Shandong University, Jinan 250100
4High Performance Computing Centre, Shandong University, Jinan 250100 |
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| Cite this article: |
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HUANG Bo-Da, XIA Yue-Yuan, ZHAO Ming-Wen et al 2004 Chin. Phys. Lett. 21 2388-2391 |
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Abstract The motion and equilibrium distribution of water molecules adsorbed inside neutral and negatively charged single-walled carbon nanotubes (SWNTs) have been studied using molecular dynamics simulations (MDSs) at room temperature based on CHARMM (Chemistry at HARvard Molecular Mechanics) potential parameters. We find that water molecules have a conspicuous electropism phenomenon and regular tubule patterns inside and outside the charged tube wall. The analyses of the motion behaviour of water molecules in the radial and axial directions show that by charging the SWNT, the adsorption efficiency is greatly enhanced, and the electric field produced by the charged SWNTs prevents water molecules from flowing out of the nanotube. However, water molecules can travel through the neutral SWNT in a fluctuating manner. This indicates that by electrically charging and uncharging the SWNTs, one can control the adsorption and transport behaviour of polar molecules in SWNTs for using as a stable storage medium or long transport channels. The transport velocity can be tailored by changing the charge on the SWNTs, which may have a further application as modulatable transport channels.
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| Keywords:
31.15.Qg
78.67.Ch
68.43.Hn
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Published: 01 December 2004
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| PACS: |
31.15.Qg
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78.67.Ch
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(Nanotubes)
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68.43.Hn
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(Structure of assemblies of adsorbates (two-and three-dimensional clustering))
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