《《光诱导电荷转移原理和在有机太阳能电池中的应用(英文版)》Photoinduced Electron Transfer in Organic Solar Cell: Principle and Applications》**部分首先从各种激发态淬灭动力学过程之间的竞争机制出发,阐述了电子转移在复杂功能材料体系激发态失活过程中的重要地位。《《光诱导电荷转移原理和在有机太阳能电池中的应用(英文版)》Photoinduced Electron Transfer in Organic Solar Cell: Principle and Applications》第二部分介绍了电子转移的基础理论,包括:Born-Oppenheimer近似、Fermi黄金规则、Frank-Condon原理等,进一步概述了Marcus电子转移理论及其振动分辨的理论发展。《《光诱导电荷转移原理和在有机太阳能电池中的应用(英文版)》Photoinduced Electron Transfer in Organic Solar Cell: Principle and Applications》第三部分详细阐述了驱动电子转移反应进行的自由能模型,着重介绍了Coulombic吸引以及外界环境对反应自由能的修正。
作者简介 Sun Mengtao,obtaincd his Ph.D.in 2003 from the State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics.Cliincs Acadcmy of Sciences (CAS).From 2003 to 2006,he worked as a postdoc at the Department of Chemical Physics,Lund University.Since 2006,as an Associate Professor,he has worked at the Beijing National Laboratory for Condcnsed Matter Physics,Institute of Physics,CAS.Since 2016,he is a full Professor at Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science,School of Mathematics and Physics,the University of Science and Technology Beijing.He is also the adjunct professor at Liaoning Key Laboratory of Semi conductor Light Emitting and Photocatalytic Materials,Department of Physics,Liaoning University,and college of Science,Qiqihar University.His current research interests focus on SERS,TERS,photoinduced electron transfer,and plasmon-driven chemical reactions.He has published more than 100 peer reviewed papers.Researcher ID: B-1131-2008.In 2016,he was honored the Science and Technology (Natural Science)Award of Liaoning Province (the second prize). Song Peng,the Associate Professor at Liaoning University.He obtained his Ph.D.in 2010 from State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics,CAS,working on excitcd-state electron transfer dynamics in compex systems.Since 2010,he works at Liaoning Key Laboratory of Semiconductor Light Enut ting and Photocatalytic Materials,Department of Physics,Liaoning University.His current research interests focus on the mechanisms of external electric field dependent photoin duccd electron transfer in conjugatcd system,and plasmon catalyzed molecular reactions.He has published more than 70 research papers.In 2015,he was honored the Science and Technology (Natural Science) Award of Liaoning Province (the third prize).
目录 Contents Chapter 1 Introduction 1 Chapter 2 Concepts on Electron Transfer Theory 5 2.1 General kinetic context of the excited-state quenching dynamics by electron transfer reaction 5 2.2 Short description on Born-Oppenheimer approximation 8 2.3 Electron transfer rate expression within Born-Oppenheimer approximation 10 2.4 Fermi's Golden Rule and its application in electronic transition 12 2.5 Frank-Condon principle applied to Marcus correction for electron transfer rate 13 2.6 Vibrational resolved electron transfer rate 18 Chapter 3 Energetic Driving Force for Electron Transfer Reaction 24 3.1 Free energy changes in primary electron transfer 24 3.2 Coulombic attraction energy corrected free energy changes 26 3.3 Development of free energy changes in external environment 28 Chapter 4 Electronic Barriers for Electron Transfer Reaction 38 4.1 Two-state model 39 4.2 Calculating protocols for electron transfer integral 40 4.2.1 Energy-gap-based approaches 41 4.2.2 Direct calculation of the o-diagonal matrix elements 44 4.2.3 The generalized Mulliken-Hush scheme and its variants 46 4.3 The development of generalized Mulliken-Hush method 50 4.4 Nuclear Barriers for Electron Transfer Reaction 56 4.5 Nuclear barriers from bond length change 58 4.6 Nuclear barriers from solvent reorganization 61 4.7 Estimation of reorganization energy from vibronic transition spectra 65 4.8 The external electric-eld controlled reorganization energy 66 Chapter 5 Experimental Measurement and Theoretical Simulation on Electron Transfer Reaction Rate in Organic Solar Cell Materials 73 5.1 Key role of electron transfer reaction rate in organic solar cell materials 73 5.2 Brief introduction on polymer-fullerene bulk heterojunction solar cell 77 5.3 Relevant experimental measurement on electron transfer reaction rate 81 5.4 Theoretical simulation on electron transfer reaction rate 96 5.4.1 Electron transfer rate simulation by employing Marcus theory 96 5.4.2 Electron transfer rate simulation by employing Marcus-Levich-Jortner's formalism 100 Chapter 6 The Visualized Method Direct Visual Evidence for Electron Transfer 104 Chapter 7 Perspective 113 References 115
内容摘要
《《光诱导电荷转移原理和在有机太阳能电池中的应用(英文版)》Photoinduced Electron Transfer in Organic Solar Cell: Principle and Applications》**部分首先从各种激发态淬灭动力学过程之间的竞争机制出发,阐述了电子转移在复杂功能材料体系激发态失活过程中的重要地位。《《光诱导电荷转移原理和在有机太阳能电池中的应用(英文版)》Photoinduced Electron Transfer in Organic Solar Cell: Principle and Applications》第二部分介绍了电子转移的基础理论,包括:Born-Oppenheimer近似、Fermi黄金规则、Frank-Condon原理等,进一步概述了Marcus电子转移理论及其振动分辨的理论发展。《《光诱导电荷转移原理和在有机太阳能电池中的应用(英文版)》Photoinduced Electron Transfer in Organic Solar Cell: Principle and Applications》第三部分详细阐述了驱动电子转移反应进行的自由能模型,着重介绍了Coulombic吸引以及外界环境对反应自由能的修正。
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