A simulation of an electrochemical adiabatic electron-transfer reaction

被引：19

作者：

Kuznetsov, AM

Schmickler, W ^{[1
]}

机构：

[1] Univ Ulm, Abt Elektrochem, D-89069 Ulm, Germany

[2] Russian Acad Sci, AN Frumkin INst, Moscow 117071, Russia

来源：

CHEMICAL PHYSICS LETTERS | 2000年 / 327卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(00)00866-6

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：

Adiabatic electron exchange between an electroactive species and a metal electrode is investigated by molecular dynamics simulation. The system is assumed to be in contact with a thermal bath, which provides the activation energy required for an electron transfer. The method allows the explicit calculation of transmission factors. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：314 / 318

页数：5

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