engleski

Ionic Liqudis at Interfaces

Understanding the molecular-level behavior of ionic liquids (ILs) at IL−solid interfaces is of fundamental importance with respect to their application in, for example, electrochemical systems and electronic devices. We employed atomistic molecular dynamics (MD) simulations to investigate the behavior of the archetypical imidazolium-based IL, namely [C4Mim][NTf2] and [C6Mim][NTf2] ([C2Mim][NTf2] in the previous work)i, at the neutral sapphire interface. Our strategy enables us to compare experimental and theoretically calculated reflectivities in a direct manner, thereby critically assessing the applicability of two force-field variants.

ionic liquid ; nanoconfinement ; molecular dynamics simulations ; radial distributions ; interface-normal number density

Cluster of Excellence: EAM, Erlangen, Germany