Ionic liquids (ILs) are a special category of molten salts solely composed of ions with varied
molecular symmetry and charge delocalization. The versatility in combining varied cation …

Ionic liquids (ILs) have been widely investigated as novel solvents, electrolytes, and soft
functional materials. Nevertheless, the widespread applications of ILs in most cases have …

Ionic liquids are widely used as electrolytes in electronic devices in which they are subject to
nanoconfinement within nanopores or nanofilms. Because the intrinsic width of an electrical …

The structural properties of electrolytes consisting of solutions of ionic liquids in a polar
solvent at charged electrode surfaces are investigated using classical atomistic simulations …

The detailed hydrogen bond (HB) behavior of ethylammonium nitrate (EAN) ionic liquid (IL)–
water mixtures with different water concentrations has been investigated at a molecular level …

Here we have performed molecular dynamics simulations to investigate the structures,
dynamics, and hydrogen bonds (HBs) of the imidazolium-based ionic liquid (IL) mixture …

The behavior of the first-adsorbed water layer at titanium dioxide surfaces is critical to the
fundamental understanding of titanium dioxide-based applications. Using classical MD …

Here, we performed a series of molecular dynamics (MD) simulations to investigate the
structures, dynamics, and competitive interaction mechanisms of CH 4, CO 2, and SO 2 in …

In this work, we have performed a series of molecular dynamics (MD) simulations to explore
structure, dynamics, and hydrogen bonds (HBs) of the imidazolium-based ionic liquid (IL) …

The interactions at the water/solid interface is of great importance to a broad range of
scientific phenomena and technological processes in astrophysics, electrochemistry …