Correlated electron-nuclear dynamics in ultrafast photoinduced electron-transfer reactions at dye-semiconductor interfaces

Michael Thoss; Ivan Kondov; Haobin Wang

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Correlated electron-nuclear dynamics in ultrafast photoinduced electron-transfer reactions at dye-semiconductor interfaces

机译：染料-半导体界面超快光诱导电子转移反应中的相关电子核动力学

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The correlated electron-nuclear dynamics in ultrafast photoinduced electron-transfer processes at dye-semiconductor interfaces is investigated, employing accurate quantum dynamical calculations. It is shown that—depending on the relative time scale of electronic and nuclear dynamics—electronic-vibrational coupling in dye-semiconductor systems may result in electron transfer driven by coherent vibrational motion, nuclear dynamics induced by ultrafast electron-transfer processes, as well as localization of the electron at the dye molecule.

机译：利用精确的量子动力学计算，研究了染料-半导体界面上超快光诱导电子转移过程中的相关电子核动力学。结果表明，根据电子和核动力学的相对时间尺度，染料-半导体系统中的电子-振动耦合可能导致相干振动驱动电子转移，超快电子转移过程所诱导的核动力学以及电子在染料分子上的定位。

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来源
《Physical review》 |2007年第15期|153313.1-153313.4|共4页
作者
Michael Thoss; Ivan Kondov; Haobin Wang;
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作者单位

Department of Chemistry, Technical University of Munich, D-85748 Garching, Germany;

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原文格式 PDF
正文语种 eng
中图分类固体物理学;
关键词
charge transfer; electron states at surfaces and interfaces; electronic transport in interface structures; femtochemistry;

机译：电荷转移;表面和界面的电子态;接口结构中的电子传输;飞化学;

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1. Quantum Dynamics of Photoinduced Electron-Transfer Reactions in Dye-Semiconductor Systems: First-Principles Description and Application to Coumarin 343-TiO_2 [J] . Ivan Kondov, Martin Cizek, Claudia Benesch, The journal of physical chemistry, C. Nanomaterials and interfaces . 2007,第32期

机译：染料-半导体系统中光诱导电子转移反应的量子动力学：第一性原理描述及在香豆素343-TiO_2中的应用
2. Coherent vibrational dynamics during ultrafast photoinduced electron-transfer reactions: quantum dynamical simulations within multilevel Redfield theory [J] . Egorova D., Domcke W. Chemical Physics Letters . 2004,第1a3期

机译：超快光致电子转移反应过程中的相干振动动力学：多级红场理论中的量子动力学模拟
3. Dynamical Simulation of Photoinduced Electron Transfer Reactions in Dye-Semiconductor Systems with Different Anchor Groups [J] . Jingrui Li, Mattias Nilsing, Ivan Kondov The journal of physical chemistry, C. Nanomaterials and interfaces . 2008,第32期

机译：具有不同锚定基团的染料-半导体体系中光诱导电子转移反应的动力学模拟
4. Ultrafast dynamics of photoinduced transitions in one-dimensional correlated electron systems [C] . Okamoto, H., Iwai, . 2005

机译：一维相关电子系统中光诱导跃迁的超快动力学
5. Correlating Electronic and Nuclear Motions in Ultrafast Photoinduced Charge Transfer Reactions with Femtosecond Multidimensional Spectroscopies. [D] . Lynch, Michael Stanley. 2013

机译：飞秒多维光谱法在超快光诱导电荷转移反应中的电子运动和核运动的相关性。
6. Photoinduced Electron-Transfer Mechanisms for Radical-Enhanced Photodynamic Therapy Mediated by Water-Soluble Decacationic C70 and C84O2 Fullerene Derivatives [O] . Felipe F. Sperandio, Sulbha K. Sharma, Min Wang, -1

机译：用于可自由基增强的光动力疗法的光突出的电子传递机制由水溶性斩数C70和C84O2富勒烯衍生物介导的
7. Quantum dynamics of photoinduced electron-transfer reactions in dye-semiconductor systems: First-principles description and application to coumarin 343-TiO2 [O] . Ivan Kondov, Martin Cÿ Ížek, Claudia Benesch, 2015

机译：染料 - 半导体体系中光诱导电子转移反应的量子动力学：香豆素343-TiO2的第一性原理描述和应用
8. Dynamic structural effects and ultrafast biomolecular kinetics in photoinduced charge transfer reactions. Three year progress report, March 15, 1991--May 14, 1994 [R] . Hupp, J T 1994

机译：光诱导电荷转移反应中的动态结构效应和超快生物分子动力学。三年进度报告，1991年3月15日 - 1994年5月14日

Correlated electron-nuclear dynamics in ultrafast photoinduced electron-transfer reactions at dye-semiconductor interfaces

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