CAS OpenIR  > 中科院上海应用物理研究所2011-2019年
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 PublicationACS APPLIED MATERIALS & INTERFACES
ISSN1944-8244
Volume6Issue:15Pages:12556—12565
AbstractThe 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.
KeywordAtom Force-field Differential Capacitance Model Electrolyte Metal Interface Pore-size Temperature Surface Simulations Imidazolium Carbon
Indexed BySCI
Language英语
WOS IDWOS:000340446300088
Citation statistics
Cited Times:30[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/14247
Collection中科院上海应用物理研究所2011-2019年
Corresponding Authorwuguozhong@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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