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Modelling of Underpotential Deposition on Bulk Electrodes

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Underpotential Deposition

Part of the book series: Monographs in Electrochemistry ((MOEC))

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Abstract

As discussed in Chaps. 2 and 3, a wide variety of experimental techniques have allowed to obtain a wealth of information of upd systems. This information concerns:

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Notes

  1. 1.

    A example of multicomponent is given in Chapter 6 in the case of upd on nanoparticles.

  2. 2.

    \( {U}_{\mathrm{S}-{\mathrm{M}}_{\theta}}^{\mathrm{bind}} \) is calculated as: \( {U}_{\mathrm{S}-{\mathrm{M}}_{\theta}}^{\mathrm{bind}}=\left({U}_{\mathrm{S}+\mathrm{M}}-{U}_{\mathrm{S}}\right)/{N}_{\mathrm{M}}-{U}_{\mathrm{M}}^{\mathrm{vac}} \), where is \( {U}_{\mathrm{S}+\mathrm{M}} \) is the energy of substrate + adsorbate, U S is the energy of a nacked substrate, N M is the number of M atoms in the supercell, and U vacM is the energy of a single M atom in vacuum.

  3. 3.

    Note that this quantity is different from the binding energy of an adsorbate atom, \( {U}_{{\mathrm{S}\hbox{-} \mathrm{M}}_{\uptheta}}^{\mathrm{bind}} \) used in Eq. (5.18), which is referred to isolated adsorbate atoms in vacuum. That is: \( {U}_{\mathrm{S}-\mathrm{M}}=\left({U}_{\mathrm{S}+\mathrm{M}}-{U}_{\mathrm{S}}-{U}_{\mathrm{adlayer}}^{\mathrm{vac}}\right)/{N}_{\mathrm{M}} \) where is \( {U}_{\mathrm{S}+\mathrm{M}} \) is the energy of substrate + adsorbate, U S is the energy of a nacked substrate, N M is the number of M atoms in the supercell, and U vacadlayer is the energy of a free standing adlayer in vacuum.

  4. 4.

    Poisson processes in a nutshell: if N t (t) is a random variable characterizing the observation of a number of certain events during a time interval t, Poisson processes are characterized by: (a) \( {N}_t(0)=0 \), (b) N t (t 1) and N t (t 2) are independent if t 1 and t 2 are disjoint intervals. (c) The probability of observing a single event in the interval h increases linearly with h. (d) The probability of observing two or more events in the interval h increases with a power larger than one.

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Authors and Affiliations

  1. Departamento de Matemática y Física, Facultad de Ciencias Químicas, INFIQC Universidad Nacional de Córdoba, Córdoba, Argentina

    Oscar Alejandro Oviedo, Luis Reinaudi & Ezequiel Pedro Marcos Leiva

  2. Departamento de Ingeniería Química, Universidad Nacional del Sur, Bahía Blanca, Argentina

    Silvana Graciela García

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  1. Oscar Alejandro Oviedo
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  3. Silvana Graciela García
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  4. Ezequiel Pedro Marcos Leiva
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Oviedo, O.A., Reinaudi, L., García, S.G., Leiva, E.P.M. (2016). Modelling of Underpotential Deposition on Bulk Electrodes. In: Underpotential Deposition. Monographs in Electrochemistry. Springer, Cham. https://doi.org/10.1007/978-3-319-24394-8_5

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