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| Molecular Insights into the Electric Double Layers of Ionic Liquids on Au(100) Electrodes | |
| Sha, ML; Dou, Q; Luo, FB; Zhu, GL; Wu, GZ; wuguozhong@sinap.ac.cn | |
| 2014 | |
| Source Publication | ACS APPLIED MATERIALS & INTERFACES
 |
| ISSN | 1944-8244 |
| Volume | 6Issue:15Pages:12556—12565 |
| Abstract | The electric double layer structure and differential capacitance of single crystalline Au(100) electrodes in the ionic liquid 1-butyl-3-methyl-imidazolium hexafluorophosphate are investigated using molecular dynamics simulations. Results show strong adsorption on the electrode surface. The potential of zero charge (pzc) and maxima of differential capacitance are strongly dependent on the adsorption layer structure. At potentials near the pzc, cations and anions adjacent to the electrode surface are coadsorbed on the same screening layer. This strong adsorption layer results in overscreening effects on the compact layer and induces both a bell-shaped differential capacitance curve and a positive pzc. Moreover, the potential required for transition from overscreening to overcrowding is about 4.0 V. This transition potential may be attributed to the higher interaction energy between the Au(100) electrode and ions compared with the binding energy in our cation anion system. |
| Keyword | Atom Force-field Differential Capacitance Model Electrolyte Metal Interface Pore-size Temperature Surface Simulations Imidazolium Carbon |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:000340446300088 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/14247 |
| Collection | 中科院上海应用物理研究所2011-2019年 |
| Corresponding Author | wuguozhong@sinap.ac.cn |
| Recommended Citation GB/T 7714 | Sha, ML,Dou, Q,Luo, FB,et al. Molecular Insights into the Electric Double Layers of Ionic Liquids on Au(100) Electrodes[J]. ACS APPLIED MATERIALS & INTERFACES,2014,6(15):12556—12565. |
| APA | Sha, ML,Dou, Q,Luo, FB,Zhu, GL,Wu, GZ,&wuguozhong@sinap.ac.cn.(2014).Molecular Insights into the Electric Double Layers of Ionic Liquids on Au(100) Electrodes.ACS APPLIED MATERIALS & INTERFACES,6(15),12556—12565. |
| MLA | Sha, ML,et al."Molecular Insights into the Electric Double Layers of Ionic Liquids on Au(100) Electrodes".ACS APPLIED MATERIALS & INTERFACES 6.15(2014):12556—12565. |
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| Molecular insights i（2813KB） | 开放获取 | CC BY-NC-SA | View Download | |||
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