Electronic structure of organic semiconductors :polymers and small molecules /

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"Version: 20181201"--Title page verso."A Morgan & Claypool publication as part of IOP Concise Physics"--Title page verso.Includes bibliographical references.1. Introduction -- 2. Some basic concepts in solid state physics -- 2.1. Drude model -- 2.2. Sommerfeld model3. From orbitals to bands -- 3.1. Orbitals in a chain of atoms -- 3.2. Importance of the crystal structures -- 3.3. Covalent solids : the series C, Si, Ge4. Band theory -- 4.1. Electrons in a periodic potential : Bloch theorem -- 4.2. Energy bands from linear combinations of orbitals -- 4.3. Energy bands in a one-dimensional crystal -- 4.4. Consequences of the band structure in semiconductors5. Orbitals and bands in organic semiconductors -- 5.1. Energy bands in conjugated polymers -- 5.2. Electronic structure of small molecule organic semiconductors6. Computational methods -- 6.1. Hartree-Fock theory -- 6.2. Density functional theory (DFT) -- 6.3. Molecular orbitals calculated by DFT -- 6.4. Energy bands calculated by DFT7. Topological defects and excitons -- 7.1. Topological defects : solitons and polarons -- 7.2. Electron-hole interactions : excitons8. Transport and optical properties -- 8.1. Transport properties -- 8.2. Optical properties9. Case study : PEDOT:PSS -- 9.1. Introduction -- 9.2. Electronic structure -- 9.3. Electronic and optical properties -- 9.4. Approaches to improve the electrical conductivity -- 9.5. Applications.Written from 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.Also available in print.Mode of access: World Wide Web.System requirements: Adobe Acrobat Reader, EPUB reader, or Kindle reader.Lu?is Alc?acer obtained his PhD from the University of California, Riverside. He was a Professor at Instituto Superior T?ecnico (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 Telecomunica?c?aoes. 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.Title from PDF title page (viewed on January 16, 2019).

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Series Title

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Call Number

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Publisher

: .,

Collation

1 online resource (various pagings) :illustrations (some color).

Language

English

ISBN/ISSN

9781643271682

Classification

620.192

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-

Carrier Type

-

Edition

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Subject(s)

Electronic structure.
Materials / States of matter.
Organic semiconductors.

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Statement of Responsibility

Lu?is Alc?acer.

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