| Home > Publications database > Cl-Electrosorption on Ag(100) - Lateral Interactions and Electrosorption Valency from Monte Carlo Simulations and Experiments |
| Journal Article | PreJuSER-47589 |
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2005
Elsevier
New York, NY [u.a.]
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Please use a persistent id in citations: doi:10.1016/j.electacta.2005.03.057
Abstract: 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 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(1 0 0). (C) 2005 Elsevier Ltd. All rights reserved.
Keyword(s): J ; chlorine electrosorption (auto) ; lateral interactions (auto) ; electrosorption valency (auto) ; chronocoulornetry (auto) ; continuous phase transition (auto) ; Monte Carlo simulation (auto)
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