Molecular Insights into the Electric Double Layers of Ionic Liquids on Au(100) Electrodes
文献类型：期刊论文
| 作者 | Sha, ML ; Dou, Q ; Luo, FB ; Zhu, GL ; Wu, GZ |
| 刊名 | ACS APPLIED MATERIALS & INTERFACES
 |
| 出版日期 | 2014 |
| 卷号 | 6期号:15页码:12556—12565 |
| 关键词 | ATOM FORCE-FIELD DIFFERENTIAL CAPACITANCE MODEL ELECTROLYTE METAL INTERFACE PORE-SIZE TEMPERATURE SURFACE SIMULATIONS IMIDAZOLIUM CARBON |
| ISSN号 | 1944-8244 |
| 通讯作者 | wuguozhong@sinap.ac.cn |
| 英文摘要 | 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. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000340446300088 |
| 公开日期 | 2015-03-13 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/14247]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 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.(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. |
入库方式： OAI收割
来源：上海应用物理研究所
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