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28 March 2024
 
  » arxiv » cond-mat/0502407

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Cl electrosorption on Ag(100): Lateral interactions and electrosorption valency from comparison of Monte Carlo simulations with chronocoulometry experiments
I. Abou Hamad ; S.J. Mitchell ; Th. Wandlowski ; P.A. Rikvold ; G. Brown ;
Date 16 Feb 2005
Journal Electrochimica Acta 50/28 (2005) 5518-5525 DOI: 10.1016/j.electacta.2005.03.057
Subject Materials Science; Chemical Physics | cond-mat.mtrl-sci physics.chem-ph
AbstractWe 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 phi_nnn. Both coverage-dependent and coverage independent gamma were previously studied assuming a constant phi_nnn [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 phi_nnn is developed, and a relationship between phi_nnn and gamma is investigated for Cl on Ag(100).
Source arXiv, cond-mat/0502407
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