FREE-ENERGY PROFILES FOR LI+ AND I- IONS APPROACHING THE PT(100) SURFACE - A MOLECULAR-DYNAMICS STUDY

被引：30

作者：

PERERA, L ^{[1
]}

BERKOWITZ, ML ^{[1
]}

机构：

[1] UNIV N CAROLINA,DEPT CHEM,CHAPEL HILL,NC 27599

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1993年 / 97卷 / 51期

关键词：

D O I：

10.1021/j100153a059

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：

We calculated the potential of mean force profiles for Li+,and I- ions approaching the noncharged Pt(100) surface and solvated in water. These profiles show that while for I- the traditional picture placing the anion in contact with the metal surface is justified, for Li+ the traditional picture presenting the cation separated from the metal surface by layers of water is not correct.

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页码：13803 / 13806

页数：4

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