Chapter 1Introduction
Chapter 2Concepts on Electron Transfer Theory
2.1General kinetic context of the excited-state quenching dynamics by electron transfer reaction
2.2Short description on Born-Oppenheimer approximation
2.3Electron transfer rate expression within Born-Oppenheimer approximation
2.4Fermis Golden Rule and its application in electronic transition
2.5Frank-Condon principle applied to Marcus correction for electron transfer rate
2.6Vibrational resolved electron transfer rate
Chapter 3Energetic Driving Force for Electron Transfer Reaction
3.1Free energy changes in primary electron transfer
3.2Coulombic attraction energy corrected free energy changes
3.3Development of free energy changes in external environment
Chapter 4Electronic Barriers for Electron Transfer Reaction
4.1Two-state model
4.2Calculating protocols for electron transfer integral
4.2.1Energy-gap-based approaches
4.2.2Direct calculation of the off-diagonal matrix elements
4.2.3The generalized Mulliken-Hush scheme and its variants
4.3The development of generalized Mulliken-Hush method
4.4Nuclear Barriers for Electron Transfer Reaction
4.5Nuclear barriers from bond length change
4.6Nuclear barriers from solvent reorganization
4.7Estimation of reorganization energy from vibronic transition spectra
4.8The external electric field controlled reorganization energy
Chapter 5Experimental Measurement and Theoretical Simulation on Electron Transfer Reaction Rate in Organic Solar Cell Materials
5.1Key role of electron transfer reaction rate in organic solar cell materials
5.2Brief introduction on polymer-fullerene bulk heterojunction solar cell
5.3Relevant experimental measurement on electron transfer reaction rate
5.4Theoretical simulation on electron transfer reaction rate
5.4.1Electron transfer rate simulation by employing Marcus theory
5.4.2Electron transfer rate simulation by employing Marcus-Levich-Jortners formalism
Chapter 6The Visualized Method--Direct Visual Evidence for Electron Transfer
Chapter 7Perspective
References
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).
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