Effect of alkyl chain length on interfacial structure of imidazolium-based tetrafluoroborate ionic liquids on Au(100) electrodes
Source abstract
Abstract
Abstract The molecular dynamics simulations are employed to investigate the electric double layer structure of three different ionic liquids on single crystalline Au(100) electrodes. We used the same anion BF4 -, and three different cations, 1-Cn(n = 2,4,6)-3-methylimidazolium, respectively. We earn to find out how the alkyl chain length of the cation affects their interfacial structure. All ionic liquids have a significant layered structure within the distance 16 Å from the electrode surface, and the results are similar to those of the other research groups. The imidazole ring of cations tends to be distributed parallel to the surface of the neutral electrode due, as the chain length increases, this trend becomes more apparent, due to the increasing of steric hindrance of cations. The same trend has been found in the system of charged Au electrodes.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Ionic liquids properties and applications · Electrochemical Analysis and Applications · Electrochemical sensors and biosensors
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (35)
Show source-provided references
1. Polyterthiophene/CNT composite as a cathode material for lithium batteries employing an ionic liquid electrolyte10.1016/j.electacta.2009.06.091 ↗
2. Nonvolatile functional molecular liquids10.1039/c3cc45192e ↗
3. New method for synthesis of methacrylate-type polymerizable ionic liquids10.1080/00397911.2012.745159 ↗
4. Electrochemical fluorination (Simons process)—a powerful tool for the preparation of new conducting salts, ionic liquids and strong Brønsted acids10.1016/j.jfluchem.2009.09.016 ↗
5. Recombination of photogenerated lophyl radicals in imidazolium-based ionic liquids10.1002/cphc.200900594 ↗
6. Structure of electrolyte solutions sorbed in carbon nanospaces, studied by the replica RISM theory10.1021/la061617i ↗
7. Intertwined nanocarbon and manganese oxide hybrid foam for high-energy supercapacitors10.1002/smll.201300326 ↗
8. Novel binary room-temperature complex system based on litfsi and 2-oxazolidinone and its characterization as electrolyte10.1021/jp066429f ↗
9. Ionic-liquid materials for the electrochemical challenges of the future10.1038/nmat2448 ↗
10. Molecular insights into the electric double layers of ionic liquids on Au(100) electrodes10.1021/am502413m ↗
11. Influence of chemical composition of electrode material on the differential capacitance characteristics of the ionic liquid∣electrode interface10.1016/j.elecom.2017.07.015 ↗
12. In-situ STM and AFM studies on electrochemical interfaces in imidazolium-based ionic liquids10.1016/j.electacta.2019.04.066 ↗
13. The electric double layer in an ionic liquid incorporated with water molecules: atomic force microscopy force curve study10.1002/celc.201600177 ↗
14. Double layer of Au(100)/ionic liquid interface and its stability in imidazolium-based ionic liquids10.1002/ange.200900300 ↗
15. On capacitive processes at the interface between 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate and au(111)10.1021/jp200395j ↗
16. On the thickness of the double layer in ionic liquids10.1039/C7CP07939G ↗
17. Systematic comparison of force fields for molecular dynamic simulation of Au(111)/ionic liquid interfaces10.1016/j.fluid.2018.01.024 ↗
18. Effects of alkyl chain length on interfacial structure and differential capacitance in graphene supercapacitors: a molecular dynamics simulation study10.1016/j.electacta.2017.06.169 ↗
19. Effect of alkyl chain length and anion species on the interfacial nanostructure of ionic liquids at the Au(111)–ionic liquid interface as a function of potential10.1039/c3cp52421c ↗
20. Slow and fast capacitive process taking place at the ionic liquid/electrode interface10.1039/C1FD00088H ↗
21. The differential capacitance of ionic liquid/metal electrode interfaces—a critical comparison of experimental results with theoretical predictions10.5560/znb.2013-3153 ↗
22. Charge storage on ionic liquid electric double layer: the role of the electrode material10.1016/j.electacta.2015.02.180 ↗
23. Electrode/electrolyte interface in sulfolane-based electrolytes for Li ion batteries: a molecular dynamics simulation study10.1021/jp3054179 ↗
24. Measurements of the double layer capacitance for electrodes in supercritical CO2/acetonitrile electrolytes10.1016/j.jelechem.2015.03.022 ↗
25. Room-temperature ionic liquids. Solvents for synthesis and catalysis
26. Thermodynamics of ionic liquid cosolvent mixtures using molecular dynamics simulation: 1-ethyl-3-methylimidazolium acetate10.1021/acs.jced.7b01041 ↗
27. Lyotropic liquid-crystalline gel formation in a room-temperature ionic liquid10.1021/la0259499 ↗
28. Local structure at the air/liquid interface of room-temperature ionic liquids probed by infrared−visible sum frequency generation vibrational spectroscopy: 1-alkyl-3-methylimidazolium tetrafluoroborates10.1021/jp067162n ↗
29. Surface adsorption and micelle formation of surface active ionic liquids in aqueous solution10.1021/la0633029 ↗
30. Surface tension measurements of N-alkylimidazolium ionic liquids10.1021/la010629v ↗
31. Performance of the AMBER94, MMFF94, and OPLS-AA force fields for modeling organic liquids10.1021/jp9624257 ↗
32. Tirado-rives development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids10.1021/ja9621760 ↗
33. Modeling ionic liquids using a systematic all-atom force field10.1021/jp0362133 ↗
34. Molecular dynamics simulation of room-temperature ionic liquid mixture of [bmim][BF4] and acetonitrile by a refined force field10.1039/b504681p ↗
35. Canonical sampling through velocity rescaling10.1063/1.2408420 ↗