A theoretical approach to the adsorption of ions on metal surfaces

被引:18
作者
Gomes, JANF [1 ]
Ignaczak, A [1 ]
机构
[1] Univ Porto, CEQUP, Fac Ciencias, P-4150 Porto, Portugal
来源
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1999年 / 463卷 / 1-2期
关键词
copper; halide ions; interfacial interactions; potential of mean force; specific adsorption;
D O I
10.1016/S0166-1280(98)00401-1
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
This paper gives a short review of the current status of quantum and simulation studies of the specific adsorption phenomenon. In the light of results of some recent investigations on the adsorption of halide ions on noble metals, the difficult problem of the interfacial interactions is discussed. Several difficulties associated with the modeling of the adsorption process in the simulations are pointed out. Some of them are shown to be related to the cluster model calculations commonly used in the fitting of the analytical potentials for the ion-metal interaction. The adequacy of the additive analytical form of this potential which is usually applied, is also discussed. The problem of the description of the interaction of the ion with the electrode in the intermediate region, when the ion is still surrounded by water molecules, is also addressed. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:113 / 123
页数:11
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