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A sublattice-model isotherm for the competitive coadsorption of hydrogen and bromide on a Pt(100) electrode

A sublattice-model isotherm for the competitive coadsorption of hydrogen and bromide on a Pt(100) electrode
A sublattice-model isotherm for the competitive coadsorption of hydrogen and bromide on a Pt(100) electrode
Previous work demonstrated that the Frumkin isotherm is inadequate to model the competitive coadsorption of species with different saturation coverages, such as hydrogen and bromide coadsorption on Pt(100) [N. Garcia-Araez et al., J. Electroanal. Chem., 2006, 588, 1]. Therefore, Monte Carlo simulations were necessary to determine meaningful values of the microscopic parameters (namely, energies of adsorption and interaction). In the present work, an alternative analytical isotherm is developed, by taking into account the occupation of two sublattices, which together compose the whole lattice of adsorption sites. Despite its relatively simple mathematical form, this isotherm presents, under certain conditions, a significant improvement over the classical Frumkin isotherm for the modeling of competitive adsorption processes, thus providing a closer agreement with results from Monte Carlo simulations. Finally, it is demonstrated that the sublattice-model isotherm will be generally applicable to systems in which the formation of segregated adlayers, whose structure is not explicitly taken into account in the model, is energetically unfavorable
1463-9076
143-148
Garcia-Araez, N.
9358a0f9-309c-495e-b6bf-da985ad81c37
Koper, M.T.M.
25cee924-e771-43c9-a792-c7d3b86af92c
Garcia-Araez, N.
9358a0f9-309c-495e-b6bf-da985ad81c37
Koper, M.T.M.
25cee924-e771-43c9-a792-c7d3b86af92c

Garcia-Araez, N. and Koper, M.T.M. (2010) A sublattice-model isotherm for the competitive coadsorption of hydrogen and bromide on a Pt(100) electrode. Physical Chemistry Chemical Physics, 12 (1), 143-148. (doi:10.1039/B912091B).

Record type: Article

Abstract

Previous work demonstrated that the Frumkin isotherm is inadequate to model the competitive coadsorption of species with different saturation coverages, such as hydrogen and bromide coadsorption on Pt(100) [N. Garcia-Araez et al., J. Electroanal. Chem., 2006, 588, 1]. Therefore, Monte Carlo simulations were necessary to determine meaningful values of the microscopic parameters (namely, energies of adsorption and interaction). In the present work, an alternative analytical isotherm is developed, by taking into account the occupation of two sublattices, which together compose the whole lattice of adsorption sites. Despite its relatively simple mathematical form, this isotherm presents, under certain conditions, a significant improvement over the classical Frumkin isotherm for the modeling of competitive adsorption processes, thus providing a closer agreement with results from Monte Carlo simulations. Finally, it is demonstrated that the sublattice-model isotherm will be generally applicable to systems in which the formation of segregated adlayers, whose structure is not explicitly taken into account in the model, is energetically unfavorable

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Published date: 2010
Organisations: Electrochemistry

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Local EPrints ID: 345802
URI: https://eprints.soton.ac.uk/id/eprint/345802
ISSN: 1463-9076
PURE UUID: dbd8db58-e23c-4295-91e7-d16892dc12b3
ORCID for N. Garcia-Araez: ORCID iD orcid.org/0000-0001-9095-2379

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Date deposited: 30 Nov 2012 14:31
Last modified: 20 Jul 2019 00:39

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