The importance of specifically adsorbed ions for electrokinetic phenomena: Bridging the gap between experiments and MD simulations

Molecular Dynamics (MD) simulations are uniquely suitable for providing molecular-level insights into the Electric Double Layer (EDL) that forms when a charged surface is in contact with an aqueous solution. However, simulations are only as accurate in predicting EDL properties as permitted by the atomic interaction models. Experimental ζ-potential values and surface charges could provide a potentially suitable reference to validate and tune the...