Electronic structure of organic semiconductors : polymers and small molecules / Luís Alcácer.

Format:

Book

Author/Creator:

Alcácer, Luis, 1937- author.

Contributor:

Morgan & Claypool Publishers, publisher.

Institute of Physics (Great Britain), publisher.

Series:

IOP (Series). Release 5.

IOP concise physics

[IOP release 5]

IOP concise physics, 2053-2571

Language:

English

Subjects (All):

Organic semiconductors.

Electronic structure.

Physical Description:

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

Distribution:

Bristol [England] (Temple Circus, Temple Way, Bristol BS1 6HG, UK) : IOP Publishing, [2018]

Place of Publication:

San Rafael [California] (40 Oak Drive, San Rafael, CA, 94903, USA) : Morgan & Claypool Publishers, [2018]

System Details:

Mode of access: World Wide Web.

System requirements: Adobe Acrobat Reader, EPUB reader, or Kindle reader.

text file

Biography/History:

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.

Summary:

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.

Contents:

1. Introduction

2. Some basic concepts in solid state physics

2.1. Drude model

2.2. Sommerfeld model

3. 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, Ge

4. 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 semiconductors

5. Orbitals and bands in organic semiconductors

5.1. Energy bands in conjugated polymers

5.2. Electronic structure of small molecule organic semiconductors

6. 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 DFT

7. Topological defects and excitons

7.1. Topological defects : solitons and polarons

7.2. Electron-hole interactions : excitons

8. Transport and optical properties

8.1. Transport properties

8.2. Optical properties

9. 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.

Notes:

"Version: 20181201"--Title page verso.

"A Morgan & Claypool publication as part of IOP Concise Physics"--Title page verso.

Includes bibliographical references.

Title from PDF title page (viewed on January 16, 2019).

Other Format:

Print version:

ISBN:

9781643271675

9781643271682

9781643271668

OCLC:

1082881977

Access Restriction:

Restricted for use by site license.