Electronic Structure of Organic Semiconductors

Polymers and Small Molecules

Luís Alcácer

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English

Morgan & Claypool Publishers
30 December 2018

States of matter; Atomic & molecular physics; Biophysics; Materials science

Series: IOP Concise Physics

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.

By: Luís Alcácer
Imprint: Morgan & Claypool Publishers
Country of Publication: United States
Dimensions: Height: 254mm, Width: 178mm,
Weight: 333g
ISBN: 9781643271651
ISBN 10: 1643271652
Series: IOP Concise Physics
Pages: 135
Publication Date: 30 December 2018
Audience: General/trade , ELT Advanced
Format: Paperback
Publisher's Status: Active

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

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.