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

被引：7

作者：

Shevkunov, SV ^{[1
]}

机构：

[1] St Petersburg State Polytech Univ, St Petersburg 195251, Russia

来源：

RUSSIAN JOURNAL OF ELECTROCHEMISTRY | 2006年 / 42卷 / 01期

基金：

俄罗斯基础研究基金会;

关键词：

ionic crystal; electric field; crystalline defects; water molecules;

D O I：

10.1134/S1023193506010022

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

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.

引用

页码：8 / 15

页数：8

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