Dynamics of electrochemical electron-transfer reactions

电化学电子转移反应的动力学

• 批准号: 5365369
• 负责人: Professor Dr. Wolfgang Schmickler
• 金额: --
• 依托单位: Institut für Theoretische Chemie
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2002
• 资助国家: 德国
• 起止时间: 2001-12-31 至 2006-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/5365369?language=en
• 关键词: Dynamics; electrochemical; electron; transfer; reactions

Although the theory of electrochemical electron transfer reactions has been the subject of intensive research for five decades, there are still several important questions open. In this project we want to address two related problems: (1) How does the rate of electron transfer depend on the interaction between the reactants? (2) What effect does the interaction with the solvent bath and the concomitant dissipation have on the reaction dynamics? For the investigation we want to draw on recent progress in the theory of dissipation in quantum systems; in addition, we plan to perform computer simulations for model systems. We expect, that our results should not only be relevant to electrochemical systems, but also to other cases in which electron transfer is coupled to a bath; in particular, we plan to apply them to electron injection into semiconductors. Our long-term goal is a theory for long-range electron transfer in biological systems, to which this work should be an important stepping stone.

尽管电化学电子转移反应的理论已经被深入研究了50年，但仍然有几个重要的问题没有解决。在这个项目中，我们想解决两个相关的问题：（1）电子转移的速率如何取决于反应物之间的相互作用？(2)与溶剂浴的相互作用和伴随的耗散对反应动力学有什么影响？为了研究，我们希望利用量子系统耗散理论的最新进展;此外，我们计划对模型系统进行计算机模拟。我们期望，我们的结果不仅与电化学系统有关，而且与电子转移与浴耦合的其他情况有关;特别是，我们计划将它们应用于电子注入半导体。我们的长期目标是建立一个生物系统中远程电子转移的理论，这项工作应该是一个重要的垫脚石。