Restructuring of the electrical double layer in ionic liquids upon charging.

Molecular dynamics for the charging behavior of nanostructured electric double layer capacitors containing room temperature ionic liquids

Room-temperature ionic liquids: excluded volume and ion polarizability effects in the electrical double-layer structure and capacitance.

We study structures of room-temperature ionic liquids at electrified interfaces and the corresponding electrical double-layer capacities using a self-consistent mean-field theory. Ionic liquids are modeled as segmented dendrimers and the effective dielectric constant is calculated from the local distribution of ions to accommodate the excluded volume and the local dielectric screening effects. ...

Diffuse-charge dynamics of ionic liquids in electrochemical systems.

We employ a continuum theory of solvent-free ionic liquids accounting for both short-range electrostatic correlations and steric effects (finite ion size) [Bazant et al., Phys. Rev. Lett. 106, 046102 (2011)] to study the response of a model microelectrochemical cell to a step voltage. The model problem consists of a 1-1 symmetric ionic liquid between two parallel blocking electrodes, neglecting...

Electrical charging effects on the sliding friction of a model nano-confined ionic liquid.

Recent measurements suggest the possibility to exploit ionic liquids (ILs) as smart lubricants for nano-contacts, tuning their tribological and rheological properties by charging the sliding interfaces. Following our earlier theoretical study of charging effects on nanoscale confinement and squeezout of a model IL, we present here molecular dynamics simulations of the frictional and lubrication...

Influence of ion pairing in ionic liquids on electrical double layer structures and surface force using classical density functional approach.

We explore the influence of ion pairing in room temperature ionic liquids confined by planar electrode surfaces. Using a coarse-grained model for the aromatic ionic liquid [C4MIM(+)][BF4 (-)], we account for an ion pairing component as an equilibrium associating species within a classical density functional theory. We investigated the resulting structure of the electrical double layer as well a...