¹âÓÕµ¼µçºÉתÒÆÔ­ÀíºÍÔÚÓлúÌ«ÑôÄܵç³ØÖеÄÓ¦ÓÃ(Ó¢ÎÄ°æ)

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