Electronic Structure of Organic Semiconductors

Polymers and Small Molecules
Erscheinungsjahr 2018
ISBN: 978-1-64327-165-1
Verlag: IOP Concise Physics

Buch, Englisch, 135 Seiten, Paperback, Format (B × H): 178 mm x 254 mm, Gewicht: 271 g

Written in the perspective of an experimental chemist, this book puts together some fundamentals from chemistry, solid state physics and quantum chemistry, to help with understanding and predicting the electronic and optical properties of organic semiconductors, both polymers and small molecules. The text is intended to assist graduate students and researchers in the field of organic electronics to use theory to design more efficient materials for organic electronic devices such as organic solar cells, light emitting diodes and field effect transistors. After addressing some basic topics in solid state physics, a comprehensive introduction to molecular orbitals and band theory leads to a description of computational methods based on Hartree-Fock and density functional theory (DFT), for predicting geometry conformations, frontier levels and energy band structures. Topological defects and transport and optical properties are then addressed, and one of the most commonly used transparent conducting polymers, PEDOT:PSS, is described in some detail as a case study.

Autoren/Hrsg.

Alcácer, Luís

Fachgebiete

• Naturwissenschaften Physik Thermodynamik Festkörperphysik, Kondensierte Materie
• Naturwissenschaften Biowissenschaften Angewandte Biologie Biophysik
• Naturwissenschaften Physik Angewandte Physik Biophysik
• Naturwissenschaften Physik Quantenphysik Atom- und Molekülphysik
• Technische Wissenschaften Maschinenbau | Werkstoffkunde Technische Mechanik | Werkstoffkunde

Inhaltsverzeichnis

- Preface
- Acknowledgements
- Author biography
- Fundamental constants
- Greek alphabet
- 1. Introduction
- 2. Some basic concepts in solid state physics
- 3. From orbitals to bands
- 4. Band theory
- 5. Orbitals and bands in organic semiconductors
- 6. Computational methods
- 7. Topological defects and excitons
- 8. Transport and optical properties
- 9. Case study: PEDOT:PSS
- Appendix A
- Appendix B

Über Autor(innen)

Luís Alcácer obtained his PhD from the University of California, Riverside. He was a Professor at Instituto Superior Técnico (IST- Universidade de Lisboa), where he lectured in the areas of Chemical Physics, Solid State Physics and Quantum Mechanics. He is now Emeritus Professor at IST and senior researcher at Instituto de Telecomunicações. He is the author of two books in Portuguese: Introduction to Quantum Mechanics with Applications to Modern Computational Chemistry and The Devil in the Quantum World.