This review addresses concepts, approaches, tools, and outcomes of multiscale modeling
used to design and optimize the current and next generation rechargeable battery cells …

Solvate Ionic Liquids (SILs) are a relatively new class of ionic liquids consisting of a
coordinating solvent and salt, that give rise to a chelate complex with very similar properties …

Li‐O2 batteries have garnered much attention due to their high theoretical energy density.
However, the irreversible lithium plating/stripping on the anode limits their performance …

Ceria is a technologically important material with applications in catalysis, emissions control
and solid-oxide fuel cells. Nanostructured ceria becomes profoundly more active due to its …

While electric fields primarily result in migration of charged species in electrolytic solutions,
the solutions are dynamically heterogeneous. Solvent molecules within the solvation shells …

Many chemical processes rely extensively on organic solvents posing safety and
environmental concerns. For a successful transfer of some of those chemical processes and …

Directional correlations between the movements of cations and anions exert a strong
influence on the charge and mass transport properties of concentrated battery electrolytes …

Lithium salt–glyme mixtures are interesting candidates as electrolytes for battery
applications. Depending on the type of glyme or anion and the salt concentration, they either …

Strong anion–cation interaction in lithium-salt/ionic liquid electrolytes leads to ionic
association that decreases the Li transference number, even causing it to be negative. We …

Molecular dynamics simulations using fully atomistic polarizable force field have been
performed on solvate ionic liquids (SILs), comprised of tetraglyme (G4) solvent molecules …