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Electrochemistry at the Nanoscale pp 1–31Cite as

Theories and Simulations for Electrochemical Nanostructures

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Part of the book series: Nanostructure Science and Technology ((NST))

Abstract

Electrochemical nanostructures are special because they can be charged or, equivalently, be controlled by the electrode potential. In cases where an auxiliary electrode, such as the tip of a scanning tunneling microscope, is employed, there are even two potential drops that can be controlled individually: the bias potential between the two electrodes and the potential of one electrode with respect to the reference electrode. Thus, electrochemistry offers more possibilities for the generation or modification of nanostructures than systems in air or in vacuum do. However, this advantage carries a price: electrochemical interfaces are more complex, because they include the solvent and ions. This poses a great problem for the modeling of these interfaces, since it is generally impossible to treat all particles at an equal level. For example, simulations for the generation of metal clusters typically neglect the solvent, while theories for electron transfer through nanostructures treat the solvent in a highly abstract way as a phonon bath. Therefore, a theorist investigating a particular system must decide, in advance, which parts of the system to treat explicitly and which parts to neglect. Of course, to some extent this is true for all theoretical research, but the more complex the investigated system, the more difficult, and debatable, this choice becomes.

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Acknowledgments

W.S. acknowledges financial support by the Deutsche Forschungsgemeinschaft. E.P.M.L. acknowledges financial support from CONICET, Agencia Córdoba Ciencia, Secyt U.N.C., Program BID 1201/OC-AR PICT No. 06-12485.

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Authors and Affiliations

  1. Universidad Nacional de Córdoba, Unidad de Matemática y Física, Facultad de Ciencias Químicas, INFIQC, Córdoba, 5000, Argentina

    E.P.M. Leiva

  2. Department of Theoretical Chemistry, University of Ulm, Ulm, D-89069, Germany

    Wolfgang Schmickler

Authors
  1. E.P.M. Leiva
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  2. Wolfgang Schmickler
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Correspondence to Wolfgang Schmickler .

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Editors and Affiliations

  1. Abt. Materialwissenschaften, WWIV - LKO, Universität Erlangen-Nürnberg, Martensstr. 7, Erlangen, 91058, Germany

    Patrik Schmuki

  2. Abt. Materialwissenschaften, WWIV - LKO, Universität Erlangen-Nürnberg, Martensstr. 7, Erlangen, 91058, Germany

    Sannakaisa Virtanen

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Leiva, E., Schmickler, W. (2009). Theories and Simulations for Electrochemical Nanostructures. In: Schmuki, P., Virtanen, S. (eds) Electrochemistry at the Nanoscale. Nanostructure Science and Technology. Springer, New York, NY. https://doi.org/10.1007/978-0-387-73582-5_1

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