Our OPLS-2009IL force field parameters (J. Chem. Theory Comput. 2009, 5, 1038–1050)
were originally developed and tested on 68 unique ionic liquids featuring the 1-alkyl-3 …

The complex nature of electrode charge screening is well-known for ionic liquids (ILs). Due
to strong ion–ion correlations, these electrolytes form a distinctive layered structure at …

Li‐CO2 batteries with a high theoretical energy density (1876 Wh kg− 1) have unique
benefits for reversible carbon fixation for energy storage systems. However, due to lack of …

Molecular simulations of ionic liquids can provide deeper insight into the relationship
between intermolecular interactions and macroscopic measurements for the solvents …

Mixing of ionic liquids provides new opportunities for their tuning, enabling the applications
of ionic liquid mixtures to expand. At the same time, the genesis of the fundamental …

Hypothesis Experimental information on the molecular scale structure of ionic liquid
interfaces is controversial, giving rise to two competing scenarios, namely the double layer …

OPLS-based force fields (FFs) have been shown to provide accurate bulk-phase properties
for a wide variety of imidazolium-based ionic liquids (ILs). However, the ability of OPLS to …

While the physicochemical properties as well as the NMR and vibration spectroscopic data
of the mixtures of ionic liquids (ILs) with molecular solvents undergo a drastic change …

Efficacy of mixtures of ionic liquids (ILs): 1-butyl-3-methylimidazolium acetate ([BMIM][OAc])
and 1-butyl-3-methylimidazolium thiocyanate ([BMIM][SCN]) with 4: 1 mol/mol ratio was …

Self-stratified liquid electrode batteries are considered as a viable solution for large-scale
energy storage applications due to their high safety and low cost. However, achieving long …