| Description |
1 online resource (viii, 400 pages) : illustrations (some color) |
| Series |
Topics in current chemistry, 1436-5049 ; 352 |
|
Topics in current chemistry ; 352.
|
| Contents |
Intro; Preface; Contents; Small Optical Gap Molecules and Polymers: Using Theory to Design More Efficient Materials for Organic Photovoltaics; 1 Introduction; 2 Processes Involved in OPV Operation; 3 Rationale Behind DA Polymers and Molecules; 4 Application of Quantum-Chemical Methods for DA Copolymers; 5 Geometric and Electronic Structures and Their Impact on Redox Properties; 6 Excited-State Properties; 7 Exciton Migration; 8 Exciton Dissociation and Charge Separation; 9 Charge-Carrier Transport; 10 Charge Collection; 11 Outlook; References |
|
Supramolecular Organization of Functional Organic Materials in the Bulk and at Organic/Organic Interfaces: A Modeling and Comp ... 1 Introduction; 2 Levels of Modeling; 2.1 Atomistic Models; 2.2 Coarse Graining; 2.3 Simple Empirical Models; 3 Simulation Techniques and Observables; 3.1 Simulation Techniques; 3.1.1 Monte Carlo; 3.1.2 Molecular Dynamics; 3.2 Computation of Physical Observables; 3.3 Timescales of Different Phenomena; 4 Applications to Bulk Systems and Interfaces; 4.1 Small Molecules; 4.1.1 Solid State; 4.1.2 Liquid Crystal Phases; 4.2 Polymers; 4.2.1 Mesoscale Models |
|
4.2.2 Atomistic Models4.2.3 Coarse-Grained Models; 4.3 Interfaces; 4.3.1 Bulk Heterojunctions; 4.3.2 Planar Interfaces; 4.3.3 Organic Crystal Growth; 5 Conclusions; Appendix: Simulation Packages; References; Electronic and Optical Properties at Organic/Organic Interfaces in Organic Solar Cells; 1 Introduction; 2 Computational Methods; 2.1 Single-Scale Methods; 2.2 Multi-Scale Methods; 3 What Can Computations Tell Us?; 3.1 Band Offsets; 3.2 Band Bending; 3.3 Singlet Excited State; 3.4 Charge Transfer States; 3.5 Coupling and Rates; 4 Device Implications; 4.1 Hot Charge Transfer |
|
4.2 Localization/Delocalization4.3 Band Bending; 5 Conclusion; References; Modeling Materials and Processes in Dye-Sensitized Solar Cells: Understanding the Mechanism, Improving the Efficiency; 1 Introduction; 1.1 Device Functioning and Conversion Efficiency; 1.2 First Principles DSCs Modeling; 2 Materials; 2.1 Dyes; 2.1.1 Ruthenium Dyes; 2.1.2 Zinc Porphyrins; 2.1.3 Organic Dyes; 2.2 Semiconductor Metal Oxides: TiO2 and ZnO; 2.2.1 TiO2 Models Relevant for DSCs; 2.2.2 ZnO Models Relevant to DSCs; 3 Dye Adsorption on Semiconductor Surfaces; 3.1 Organic Dyes on TiO2 |
|
3.1.1 Binding Modes: Theory vs Experiment3.1.2 Effect of Different Anchoring Groups on the Electron Injection/Recombination Dynamics; 3.2 Ruthenium-Dyes on TiO2; 3.2.1 N3/N719 Dyes; 3.2.2 Black Dye; 3.3 Dye Binding to ZnO: Quantum Size Effect on the DSCs Properties; 4 Dye Effect on the TiO2 Conduction Band; 5 Multiple-Dye Adsorption on TiO2: Dye Aggregation and Aggregate Properties; 5.1 Organic Dyes; 5.2 Ruthenium Dyes; 6 Co-sensitization of TiO2; 6.1 TiO2 Co-sensitized by Different Dyes; 7 Conclusions; References; Monte Carlo Studies of Electronic Processes in Dye-Sensitized Solar Cells |
| Summary |
The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students |
| Bibliography |
Includes bibliographical references and index |
| Notes |
English |
|
Online resource; title from PDF title page (SpringerLink, viewed August 19, 2014) |
| Subject |
Dye-sensitized solar cells.
|
|
Organic semiconductors.
|
|
Photovoltaic power generation.
|
|
Dye-sensitized solar cells
|
|
Organic semiconductors
|
|
Photovoltaic power generation
|
| Form |
Electronic book
|
| Author |
Beljonne, David, editor
|
|
Cornil, Jerome, editor
|
|
De Angelis, Filippo, author
|
| ISBN |
9783662438749 |
|
3662438747 |
|
3662438739 |
|
9783662438732 |
|
