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Interaction of water molecules with the electric field of an ionic-crystal surface

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Abstract

A theoretical investigation of the coulombic interaction of water molecules with an ideal surface of an ionic crystal is conducted. The calculation is based on the Fourier transform of the long-range part of an coulombic potential with subsequent summation of its Fourier images and tabulation of the results. The method is numerically tested when solving the problem concerning the interaction with the surface of a silver iodide crystal. A comparison of the electric field near an ideal crystalline surface and its finite fragment is performed. The data obtained point to a strong dependence of electrochemical properties of the surface on the presence of crystalline defects on it.

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Authors and Affiliations

  1. St. Petersburg State Polytechnical University, ul. Politekhnicheskaya 29, St. Petersburg, 195251, Russia

    S. V. Shevkunov

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  1. S. V. Shevkunov
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Original Rusian Text © S.V. Shevkunov, 2006, published in Elektrokhimiya, 2006, Vol. 42, No. 1. pp. 10–18.

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Shevkunov, S.V. Interaction of water molecules with the electric field of an ionic-crystal surface. Russ J Electrochem 42, 8–15 (2006). https://doi.org/10.1134/S1023193506010022

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  • DOI: https://doi.org/10.1134/S1023193506010022

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