STRUCTURE AND PROPERTIES OF THE METAL-LIQUID INTERFACE

Theoretical results are given for simple dipolar liquids in contact wi th a metallic slab. The metal is treated by employing a jellium model together with density functional (DF) theory. The liquid structure at the interface is given by the reference hypernetted-chain (RHNC) appro ximation. The liquid and metal interact electrostatically and the coup led DF/RHNC equations are solved iteratively to obtain electron densit y distributions and metal-liquid correlation functions which are compl etely self-consistent. The electron density, liquid structure, and pot ential. drop across the interface are discussed in detail. It is found that dipoles in contact with the metal prefer to orient perpendicular to the surface with their positive ends out. This is in accord with e arlier calculations for dipolar monolayers on metal surfaces. Further from the surface, the dipolar orientations oscillate and the liquid st ructure rapidly decays to the bulk fluid limit.