| Adsorption of sodium ions and hydrated sodium ions on a hydrophobic graphite surface via cation-π interactions |
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| 引用本文： | 石国升,王志刚,赵纪军,胡钧,方海平.Adsorption of sodium ions and hydrated sodium ions on a hydrophobic graphite surface via cation-π interactions[J].中国物理 B,2011,20(6):68101-068101. |
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| 作者姓名： | 石国升 王志刚 赵纪军 胡钧 方海平 |
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| 作者单位： | (1)Laboratory of Material Modification by Laser, Electron and Ion Beams, and the College of Advanced Science and Technology, Dalian University of Technology, Dalian 116024, China; (2)Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China (Grant Nos. 10674146 and 10825520), the National Basic
Research Program of China (Grant No. 2007CB936000), and the Knowledge Innovation Program of the Chinese Academy of
Sciences. |
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| 摘 要： | Using density functional theory computation, we show that sodium ions and hydrated sodium ions can be strongly adsorbed onto a hydrophobic graphite surface via cation-π interactions. The key to this cation-π interaction is the coupling of the delocalized π states of graphite and the empty orbitals of sodium ions. This finding implies that the property of the graphite surface is extremely dependent on the existence of the ions on the surface, suggesting that the hydrophobic property of the graphite surface may be affected by the existence of the sodium ions.
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| 关 键 词： | graphite sodium ion and hydrated sodium ion cation-π interaction density functional theory |
| 收稿时间： | 2010-08-24 |
Adsorption of sodium ions and hydrated sodium ions on a hydrophobic graphite surface via cation-$\pi$ interactions |
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| Shi Guo-Sheng,Wang Zhi-Gang,Zhao Ji-Jun,Hu Jun and Fang Hai-Ping.Adsorption of sodium ions and hydrated sodium ions on a hydrophobic graphite surface via cation-$\pi$ interactions[J].Chinese Physics B,2011,20(6):68101-068101. |
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| Authors: | Shi Guo-Sheng Wang Zhi-Gang Zhao Ji-Jun Hu Jun and Fang Hai-Ping |
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| Institution: | Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China; Laboratory of Material Modification by Laser, Electron and Ion Beams, and the College of Advanced Science and Technology, Dalian University of Technology, Dalian 116024, China |
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| Abstract: | Using density functional theory computation, we show that sodium ions and hydrated sodium ions can be strongly adsorbed onto a hydrophobic graphite surface via cation-π interactions. The key to this cation-π interaction is the coupling of the delocalized π states of graphite and the empty orbitals of sodium ions. This finding implies that the property of the graphite surface is extremely dependent on the existence of the ions on the surface, suggesting that the hydrophobic property of the graphite surface may be affected by the existence of the sodium ions. |
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| Keywords: | graphite sodium ion and hydrated sodium ion cation-π interaction density functional theory |
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