Charge and Energy Transfer Dynamics in Molecular Systems
This lecture provides theoretical grounds for understanding charge and energy transfer/transport processes in organic semiconductors. The relevance for the design of light emitting diodes, solar cells, and field effect transistors will be outlined.Outline
Background 1. Electronic and Vibrational Molecular States 2. Molecular Schrodinger Equation 3. Born-Oppenheimer Separation 4. Electronic Structure Methods 5. The Golden Rule of Quantum Mechanics Electron Transfer 1. Theoretical Models for Electron Transfer Systems 2. The Electron Transfer Hamiltonian 3. Two Independent Sets of Vibrational Coordinates 4. State Representation of the Hamiltonian 5. Regimes of Electron Transfer 6. Landau-Zener Theory of Electron Transfer 7. Nonadiabatic Electron Transfer in a Donor-Acceptor Complex 8. High-Temperature Case 9. Low-Temperature Case: Nuclear Tunneling 10. The Mixed Quantum-Classical Case 11. Description of the Mixed Quantum-Classical Case by a Spectral Density 12. Nonadiabatic Electron Transfer in Polar Solvents 13. The Solvent Polarization Field and the Dielectric Function 14. The Free Energy of the Solvent 15. The Rate of Nonadiabatic Electron Transfer in Polar Solvents Exciton Transfer 1. The Exciton Hamiltonian 2. The Two-Level Model 3. Delocalized Exciton States 4. Exciton-Vibrational Interaction 5. Regimes of Exciton Transfer 6. Forster Theory of Incoherent Exciton Transfer 7. The Forster Transfer Rate 8. Energy Transfer Between Delocalized States 9. Static Disorder 10. Exciton-Exciton Annihilation
Literature
- Volkhard May, Oliver Kuehn, Charge and Energy Transfer Dynamics in Molecular Systems