Lattice-Gas Models of Adsorption in the Double Layer

Дата и время публикации : 1995-06-06T14:20:57Z

Авторы публикации и институты :
P. A. Rikvold
J. Zhang
Y. -E. Sung
A. Wieckowski

Ссылка на журнал-издание: Electrochimica Acta 41 (1996) 2175
Коментарии к cтатье: 24 pages LaTex, 8 uuencoded Postscript figs in separate file
Первичная категория: cond-mat

Все категории : cond-mat, chem-ph, mtrl-th

Краткий обзор статьи: The theory of statistical-mechanical lattice-gas modeling of adsorption is reviewed and shown to be applicable to a range of electrochemical problems dominated by effective, lateral adsorbate–adsorbate interactions. A general strategy for applying the method to specific systems is outlined, which includes microscopic model formulation, calculation of zero-temperature phase diagrams, numerical calculation of thermodynamical and structural quantities at nonzero temperatures, and estimation of effective, lateral interaction energies that cannot be obtained by first-principles methods. Phenomena that are discussed include poisoning and enhanced adsorption, and illustrative applications to specific systems are reviewed. Particular problems considered are: the poisoning by sulfur of hydrogen adsorption on platinum (111), the electrochemical adsorption of naphthalene on polycrystalline copper and of urea on single-crystal platinum (100), and the underpotential deposition of copper on single-crystal gold (111).

Category: Physics