Quantum Efficiency in Complex Systems, Part II: From Molecular Aggregates to Organic Solar Cells, Volume 85

Interplay of Exciton Coherence and Dissipation in Molecular Aggregates

1. Introduction

2. Frenkel Exciton Model of Molecular Aggregates

3. Relaxation and Transport of Excitons

4. Simulations of Spectroscopy Signals

5. Concluding Remarks

Acknowledgments

Quantum Dynamics and Spectroscopy of Excitons in Molecular Aggregates

1. Introduction

2. Theory

3. Applications

4. Concluding Remarks

Acknowledgment

From Atomistic Modeling to Electronic Properties of Light-Harvesting Systems

1. Introduction

2. The Modeling Approach

3. Molecular Dynamics Simulations

4. Site Energies

5. Electronic coupling

6. Spatial Correlations of Site Energy Fluctuations

7. Temporal Correlations of Site Energies

8. Spectral Densities

9. Exciton Dynamics and Optical Properties

10. Conclusion

Acknowledgments

Chain Representations of Open Quantum Systems and Their Numerical Simulation with Time-Adaptive Density Matrix Renormalisation Group Methods

1. Introduction

2. Open-System Hamiltonians and Chain Mappings

3. Numerical Results and Applications

4. Conclusions and Future Developments and Applications

Part 1: Excitons in Biomolecules

1. Introduction

2. Many-Site Polaron Master Equation

3. Non-Markovian Dynamics

4. Born-Markov Approximation in the Polaron Frame

5. Conclusions

Acknowledgments

Appendices

The Significance of Alloy Colloidal Quantum Dots

1. Introduction

2. Theoretical Insight into the Electronic Band Structure of PbSex S1 − x/PbSey S1 − y QDs with Different Composition and/or Size

3. Synthesis Procedures and Experimental Techniques used for PbSex S1 − x/PbSey S1 − y a-c/a-sh CQDs Structural and Optical Characterizations

4. Temperature Influence on Optical Properties of PbSex S1 − x/PbSey S1 − y Core/Shell Heterostructures Composed with Alloy Components

5. Outlook and Future Directions

Acknowledgments

The Role of Molecular Structure and Conformation in Polymer Electronics

1. Introduction

2. Charge Transport in Conjugated Polymers

3. Polymer-Based Photovoltaics

4. Conjugated Polymers for Biomolecular Recognition

5. Conclusions

Charge Transfer States in Organic Donor–Acceptor Solar Cells

1. Introduction

2. Charge Transfer Complex Formation at Donor–Acceptor Interfaces

3. Effect of CT Formation on Photovoltaic Parameters

Acknowledgments

Part 2: Excitons in Quantum Dots & Organic Solar Cells

1. Introduction

2. Primary Photoexcitation

3. Charge Generation

4. Charge Extraction

5. Summary

Acknowledgments

Since its inception in 1966, the series of numbered volumes known as Semiconductors and Semimetals has distinguished itself through the careful selection of well-known authors, editors, and contributors. The "Willardson and Beer" Series, as it is widely known, has succeeded in publishing numerous landmark volumes and chapters. Not only did many of these volumes make an impact at the time of their publication, but they continue to be well-cited years after their original release. Recently, Professor Eicke R. Weber of the University of California at Berkeley joined as a co-editor of the series. Professor Weber, a well-known expert in the field of semiconductor materials, will further contribute to continuing the series' tradition of publishing timely, highly relevant, and long-impacting volumes. Some of the recent volumes, such as Hydrogen in Semiconductors, Imperfections in III/V Materials, Epitaxial Microstructures, High-Speed Heterostructure Devices, Oxygen in Silicon, and others promise that this tradition will be maintained and even expanded. Reflecting the truly interdisciplinary nature of the field that the series covers, the volumes in Semiconductors and Semimetals have been and will continue to be of great interest to physicists, chemists, materials scientists, and device engineers in modern industry.

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