Molecular simulation of the electrochemical double layer

被引：118

作者：

Spohr, E ^{[1
]}

机构：

[1] Univ Ulm, Dept Theoret Chem, D-89069 Ulm, Germany

来源：

ELECTROCHIMICA ACTA | 1999年 / 44卷 / 11期

关键词：

electrochemical double layer; molecular dynamics; molecular simulation; ion distribution; ion adsorption;

D O I：

10.1016/S0013-4686(98)00289-8

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

Direct computer simulations of the electrochemical double layer between an aqueous electrolyte solution and a metal surface have recently become possible, although currently only at high electrolyte concentrations. In the present study molecular dynamics simulations of the structure of a 2.2 molal aqueous NaCl solution in the vicinity of an idealized metal surface are reported. Uncharged as well as positively and negatively charged metal surfaces are investigated. (C) 1999 Elsevier Science Ltd. All rights reserved.

引用

页码：1697 / 1705

页数：9

共 52 条

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