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)

Chapter 1 IntroductionChapter 2 Concepts on Electron Transfer Theory2．1 General kinetic context of the excited-state quenching dynamics byelectron transfer reaction2．2 Short description on Born-Oppenheimer approximation2，3 Electron transfer rate expression within Born-Oppenheimer approximation2．4 Fermi's Golden Rule and its application in electronic transition2．5 Frank-Condon principle applied to Marcus correction for electron transfer rate2．6 Vibrational resolved electron transfer rateChapter 3 Energetic Driving Force for Electron Transfer Reaction3．1 Free energy changes in primary electron transfer ，3．2 Coulombic attraction energy corrected free energy changes3．3 Development of free energy changes in external environment Chapter 4 Electroruc Barriers for Electron Transfer Reaction4．1 Two-state model4．2 Calculating protocols for electron transfer integral4．2．1 Energy-gap-based approaches4．2．2 Direct calculation of the off-diagonal matrix elements4．2．3 The generalized Mulliken-Hush scheme and its variants4．3 The development of generalized Mulliken-Hush method4．4 Nuclear Barriers for Electron Transfer Reaction4．5 Nuclear barriers from bond length change4．6 Nuclear barriers from solvent reorganization4．7 Estimation of reorganization energy from vibronic transition spectra4．8 The external electric field controlled reorganization energyChapter 5 Experimental Measurement and Theoretical Simulation on Electron Transfer Reaction Rate in Organic Solar Cell Materials5．1 Key role of electron transfer reaction rate in organic solar cell materials5．2 Briefintroduction on polymer-fullerene bulk heterojunction solar ce115．3 Relevant experimental measurement on electron transfer reaction rate5．4 Theoretical simulation on electron transfer reaction rate5．4．1 Electron transfer rate simulation by employing Marcus theory5．4．2 Electron transfer rate simulation by employing Marcus-Levich-Jortner's formalism Chapter 6 The Visualized Method-Direct Visual Evidence for Electron TransferChapter 7 PerspectiveReferences