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Thermophysical Characterization of TFSI Based Ionic Liquid and Lithium Salt Mixtures
(MDPI, 2019-11-14)
[Abstract] The ionic liquids (ILs) doped with metal salts have become a real alternative as electrolytes for batteries, but the right choice of these compounds for reaching the adequate properties and performance is still ...
Structure, Dynamics and Ionic Conductivities of Ternary Ionic Liquid/Lithium Salt/DMSO Mixtures
(Elsevier, 2022-04-28)
[Abstract] In this paper we report classical Molecular Dynamics and ab initio Density Functional Theory simulations of the structure and single particle dynamics of ternary mixtures of a protic (ethylammonium nitrate, EAN) ...
Structure, Dynamics and Conductivities of Ionic Liquid-Alcohol Mixtures
(Elsevier, 2022-03-19)
[Abstract] We study the microscopic structure and transport properties of ions in mixtures of 1-butyl-3-methylimidazolium and 1-butyl-3-ethylimidazolium iodide with ethanol using atomistic molecular dynamics simulations ...
Ionic liquid/metal salt mixtures at the graphene interface: A density functional theory approach
(Elsevier, 2023)
[Abstract] The interaction of graphene sheets with metal cations is very relevant because of the modifications that are
induced in the electrochemical properties of the 2D material. Ionic liquids are a promising kind of ...
Synthesis, Microstructure and Volumetry of Novel Metal Thiocyanate Ionic Liquids With [BMIM] Cation
(Elsevier, 2019-03-17)
[Abstract] We present a new family of ionic liquids (ILs) with a common cation, 1-butyl-3-methyl imidazolium, the popular [BMIM]+ (also written C4C1Im+) and a variety of anionic complexes (also called adducts) based in ...