Elucidation of the electrochemical activation of water over Pd by first principles

被引：401

作者：

Filhol, JS ^{[1
]}

Neurock, M ^{[1
]}

机构：

[1] Univ Virginia, Dept Chem Engn & Chem, Charlottesville, VA 22904 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2006年 / 45卷 / 03期

关键词：

ab initio calculations; electrochemistry; phase diagrams; water chemistry;

D O I：

10.1002/anie.200502540

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Figure Presented) Structural changes that occur at the palladium(111)/water interface during the electrocatalytic oxidation and reduction of water (see picture) have been calculated by ab initio methods. These results have been used to construct an electrochemical phase diagram, and demonstrate the influence of the polarization of the water/metal interface on surface properties. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：402 / 406

页数：5

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