Electrosorption of a modified electrode in the vicinity of phase transition: A Monte Carlo study

ARRIAZU, E.M.GAVILÁN; PINTO, O.A.; PINTO, O.A.; ARRIAZU, E.M.GAVILÁN

APPLIED SURFACE SCIENCE

ELSEVIER SCIENCE BV

Año: 2018 p. 705 - 712

0169-4332

We present a Monte Carlo study for the electrosorption of an electroactive species on amodified electrode. The surface of the electrode is modified by the irreversible adsorption of anon-electroactive species which is able to block a percentage of the adsorption sites. Thisgenerates an electrode with variable connectivity sites. A second species, electroactive in thiscase, is adsorbed in surface vacancies and can interact repulsively with itself. In particular, weare interested in the analysis of the effect of the non-electroactive species near of criticalregime, where the c(2x2) structure is formed. Lattice-gas models and Monte Carlosimulations in the Gran Canonical Ensemble are used. The analysis conducted is based on thestudy of voltammograms, order parameters, isotherms, configurational entropy per site, atseveral values of energies and coverage degrees of the non-electroactive species.