ON THE INTERACTION OF IONS WITH A PLATINUM METAL-SURFACE

被引：41

作者：

SEITZBEYWL, J ^{[1
]}

POXLEITNER, M ^{[1
]}

PROBST, MM ^{[1
]}

HEINZINGER, K ^{[1
]}

机构：

[1] UNIV INNSBRUCK,INST ANORGAN & ANALYT CHEM,A-6020 INNSBRUCK,AUSTRIA

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1992年 / 42卷 / 05期

关键词：

D O I：

10.1002/qua.560420505

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：

Ab initio calculations have been performed to obtain analytical potential functions for describing the interactions between a platinum surface and both lithium and iodide ions. The accuracy of the results is tested by model calculations with large basis sets and the inclusion of correlation energy. The potentials obtained are to be used in computer simulations of electrochemical phenomena near solid-liquid interfaces.

引用

页码：1141 / 1147

页数：7

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