2005/02/28 by I. Abou Hamad, Ibrahim Abou Hamad, S. J. Mitchell +4
Chemical Engineering · Engineering · Physics and Astronomy · #Ammonia Synthesis and Nitrogen Reduction #Molecular Junctions and Nanostructures #Surface and Thin Film Phenomena #cond-mat.mtrl-sci #physics.chem-ph
paper · pdf · doi:10.1016/j.electacta.2005.03.057
published as Electrochimica Acta 50/28 (2005) 5518-5525 · Accepted for publication in Electrochimica Acta, 10 pages, 7 figures, 2 tables and an appendix
arxiv created 2005/03/24 · openalex publication_date 2005/06/28 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/29
We present Monte Carlo Simulations using an equilibrium lattice-gas model for the electrosorption of Cl on Ag(100) single-crystal surfaces. Fitting the simulated isotherms to chronocoulometry experiments, we extract parameters such as the electrosorption valency gamma and the next-nearest-neighbor lateral interaction energy phinnn. Both coverage-dependent and coverage independent gamma were previously studied assuming a constant phinnn [I. Abou Hamad, Th. Wandlowski, G. Brown, P.A. Rikvold, J. Electroanal. Chem. 554-555 (2003) 211]. Here, a self-consistent, entirely electrostatic picture of the lateral interactions with a coverage-dependent phinnn is developed, and a relationship between phinnn and gamma is investigated for Cl on Ag(100).