Computer simulation of the reversible electrochemical catalyst promoter doser

M. ROJAS; M. M. MARISCAL; E. P. M. LEIVA

PERGAMON-ELSEVIER SCIENCE LTD

Año: 2010 vol. 55 p. 8673 - 8673

rand Canonical Monte Carlo simulations were used to study the growth of a Na layer onto a O–p(2×2)–Pt(1 1 1) surface. At the beginning of the deposition, the film presents a disordered structure which becomes progressively ordered as the coverage increases due to the repulsive lateral interactions between the adsorbates. We found some ordered structures like p(16×16), p(14×14) and p(12×12) which appears at coverages l lower than ∼0.007, in all these overlayers the Na adatoms are adsorbed on fcc-hollow sites of the oxide surface.