Working Principles of ionic liquids (ILs)
Paper examples:
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Material synthesis in ionic liquids (179)
The material synthesis at near room temperature in ionic liquids (ILs) is a subject of immense academic interest, because it opens novel, in many cases sustainable routes for neoteric materials and processes.
To illuminate molecular-level details, ab initio molecular dynamics (AIMD) simulations of a single Te4Br2 molecule, dissolved in [C2C1Im][Cl] as well as in the same IL mixed with AlCl3, were performed. In both systems, a significant structuring was observed. However, only in the AlCl3-containing liquid, the reaction of the chain-like Te4Br2 molecule to a square-like Te4Br+ takes place, the first step towards Te2Br material formation.
This clearly shows the advantage of AIMD simulations: It provides insight into molecular processes like chemical reactions under simultaneous detailed consideration of complex solvent effects, a scenario, which is experimentally only hardly accessible.
Keywords: Ionic liquids, structure, material synthesis, solvent effects. -
Ion pairing in ionic liquids (168, 148)
In energy devices, as in battery and supercapacitor technology, or in dye sensitized solar cells, ionic liquids (ILs) could function as electrolyte. Therefore understanding and quantifying their conductivity, and related properties is of crucial importance. In electrolyte systems, the association of the ions to form ion pairs or other low charge aggregates is a long discussed issue, since it can affect the manner and extent of conduction by changing the number of charged species in solution. Accordingly, the question of whether there are ion pairs in ILs is important, because it strongly affects the application of these materials.
Keywords: Ionic liquids, conductivity, ion pairing, charge-transfer
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