Theories and Simulations for Electrochemical Nanostructures

  • E.P.M. Leiva
  • Wolfgang Schmickler
Part of the Nanostructure Science and Technology book series (NST)


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.


Electron Transfer Monte Carlo Electron Exchange Embed Atom Method Embed Atom Method 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.



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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Copyright information

© Springer Science+Business Media, LLC 2009

Authors and Affiliations

  1. 1.Universidad Nacional de Córdoba, Unidad de Matemática y Física, Facultad de Ciencias Químicas, INFIQCCórdobaArgentina
  2. 2.Department of Theoretical ChemistryUniversity of UlmUlmGermany

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