●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
2.4Fermi's 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 lliken-Hush scheme and its variants
4.3The development of generalized lliken-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-Jortner's formalism
Chapter 6The Visualized Method--Direct Visual Evidence for Electron Transfer
Chapter 7Perspective
References

太陽能電池是一種將光能轉換為電能的光電裝置。當今市場上最常見的是硅太陽能電池，它主要是以硅類材料作為活性材料的太陽能電池，分為單晶硅太陽能電池、多晶硅太陽能電池等。雖然它們的光電轉換效率可以達到24%左右，但是也有很多的不足，比如非常耗材，成本很高，以及工藝復雜等。有機太陽能電池的光電轉換效率沒有硅太陽能電池的高，但是它卻有著硅太陽能電池不能代替的優點，比如原材料來源廣泛，加工容易，更主要的是對環境的污染小，這些優點使有機太陽能電池逐漸成為重要的科學研究熱點。不管是硅太陽能電池還是有機太陽能電池，光電轉換效率的提高一直是科學家們不斷追求的目標。