Transport and Structure of Room-Temperature Ionic Liquids in Conical Nanopores under External Electric Fields | |
Jiang XK(蒋玺恺) | |
发表期刊 | JOURNAL OF PHYSICAL CHEMISTRY C |
2020-03-12 | |
卷号 | 124期号:10页码:5817-5828 |
ISSN | 1932-7447 |
摘要 | The transport and structure of room-temperature ionic liquids (RTILs) in conical nanopores under external electric fields were studied using molecular dynamics simulations. Electrically neutral, nonuniformly charged, and uniformly charged nanopores were considered. The current-voltage relationship was calculated as the macroscopic transport property. When the magnitude of the applied voltage increases, the magnitude of the current was found to increase nonlinearly with an increasing slope. The nonlinearity was traced back to that the RTILs' electrical conductivity increases as the magnitude of the electric field increases and as the ion concentration decreases (ion depletion) because of the solvent-free nature of the RTILs. The degree of ion depletion is highest near the pore tip, and it decreases as the location moves from the tip to the base, because the electric field is strongest near the tip while RTILs are more bulk-like near the base and their conductivities' dependence on the electric field is weaker than that near the tip. At the same applied voltage, the current through the nonuniformly charged pore was weaker than that through the neutral pore, while the current through the uniformly charged pore was stronger. This is because the hindered transport due to the higher total ion concentration and the lower degree of ion depletion dominates in the nonuniform case, while the enhanced transport due to the formation of electrical double layers (EDLs) dominates in the uniform case. Cation and anion currents were calculated separately, and the results show that negatively charged nanopores are cation-selective. EDLs were observed near pore walls due to the external electric field and surface charges, and the results suggest that the ion density in EDLs is tunable by varying the applied voltage across the system. The physical insights provided in this study demonstrate the importance of solvent-free nature and strong ion-ion correlations in RTILs on their nonequilibrium transport and structures in nanopores, and the results imply that the charging dynamics of RTILs in nanoporous electrodes in supercapacitor and energy applications could be greatly enhanced under larger applied voltages. |
DOI | 10.1021/acs.jpcc.9b10201 |
收录类别 | SCI ; EI |
语种 | 英语 |
WOS记录号 | WOS:000526394800036 |
关键词[WOS] | CONE-SHAPED NANOPORE ; CURRENT RECTIFICATION ; DOUBLE-LAYER ; MOLECULAR-DYNAMICS ; SUBNANOMETER PORES ; MEMBRANE ; CAPACITANCE ; SIMULATIONS ; ENRICHMENT ; DEPLETION |
WOS研究方向 | Chemistry ; Science & Technology - Other Topics ; Materials Science |
WOS类目 | Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary |
资助项目 | Institute of Mechanics, Chinese Academy of Sciences (CAS) ; CAS Strategic Priority Research Program[XDB22040403] ; CAS Key Research Program of Frontier Sciences[QYZDB-SSW-JSC036] |
项目资助者 | Institute of Mechanics, Chinese Academy of Sciences (CAS) ; CAS Strategic Priority Research Program ; CAS Key Research Program of Frontier Sciences |
论文分区 | 二类/Q1 |
力学所作者排名 | 1 |
RpAuthor | 蒋玺恺 |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://dspace.imech.ac.cn/handle/311007/81865 |
专题 | 非线性力学国家重点实验室 |
通讯作者 | Jiang XK(蒋玺恺) |
作者单位 | Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China |
推荐引用方式 GB/T 7714 | Jiang XK. Transport and Structure of Room-Temperature Ionic Liquids in Conical Nanopores under External Electric Fields[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2020,124,10,:5817-5828. |
APA | Jiang XK.(2020).Transport and Structure of Room-Temperature Ionic Liquids in Conical Nanopores under External Electric Fields.JOURNAL OF PHYSICAL CHEMISTRY C,124(10),5817-5828. |
MLA | Jiang XK."Transport and Structure of Room-Temperature Ionic Liquids in Conical Nanopores under External Electric Fields".JOURNAL OF PHYSICAL CHEMISTRY C 124.10(2020):5817-5828. |
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