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A model for the determination of the distance of closest approach of a solvent molecule to a metal surface—application to a silver electrode

✍ Scribed by S. Amokrane; J.P. Badiali

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
717 KB
Volume
34
Category
Article
ISSN
0013-4686

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✦ Synopsis

A method is proposed for the determination of the distance of closest approach of a model solvent molecule to the surface of a jellium like metal. The molecule-metal potential consists of a Van der Waals attraction and a repulsive part obtained from the metal electron density and a model for the electron molecule pseudopotential by a perturbative approach. The statistical mechanics for the solution side is solved by replacing the external potential due to the metal by an equivalent hard wall, whose position is determined self-consistently with the metal electron density. The method is illustrated in the case of a silver electrode. The contribution to the capacitance directly related to the distance of closest approach and the metal electrostatic potential drop are investigated for two different values of the strength of the pseudopotential. Their dependence upon the crystallographic orientation for the three main faces of silver is discussed.

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