Electric Potential Near a Charged Metal Surface in Contact with AqueousElectrolyte

摘要

The time independent electric potential due to water and a lithium ion near acharged metal surface is calculated by space and ensemble averaging of trajectories generated by a molecular dynamics simulation. Since the cation does not contact adsorb variations in the electric potential near the metal surface are due to water oriented in the electric field of the charged surface. The potential is decomposed into separate contributions from monopoles (from the ions), and dipoles, quadrupoles and octopoles (from the water molecules). At