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.

The development and the study of both ionic and electronically conducting polymers have been. in the past few years. areas of. increasing interest. These new materials are. in fact. being considered for many technological applications. namely low weight. high energy density batteries and sensors. This volume contains the proceedings of a workshop on this subject. sponsored by the U.S. Army Research. Development and Standardization Group (U.K.). which took place in Sintra - Portugal from July 27 to July 31. 1986. The workshop. which included lectures. communications and discussion panels. was very sucessfull and the combination of ionic with electronically conducting polymers and their applications. not usually together in workshops or conferences. proved to be an excellent idea. Lisbon December. 1986 Luis Alcacer ix THE ELECTROCHEMISTRY OF ELECTRONICALLY CONDUCTING POLYMERS J. O'M. Bockris and David Miller Department of Chemistry Texas A&M University College Station, Texas 77843 USA ABSTRACT. The new field of the electrochemistry of electronically conducting polymers is reviewed. A brief historical account traces the beginning of organic electrodes to Ka11mann and Pope, who, in 1960, observed charge injection and conductance in anthracene electrodes."

The development and the study of both ionic and electronically conducting polymers have been. in the past few years. areas of* increasing interest. These new materials are. in fact. being considered for many technological applications. namely low weight. high energy density batteries and sensors. This volume contains the proceedings of a workshop on this subject. sponsored by the U.S. Army Research. Development and Standardization Group (U.K.). which took place in Sintra - Portugal from July 27 to July 31. 1986. The workshop. which included lectures. communications and discussion panels. was very sucessfull and the combination of ionic with electronically conducting polymers and their applications. not usually together in workshops or conferences. proved to be an excellent idea. Lisbon December. 1986 Luis Alcacer ix THE ELECTROCHEMISTRY OF ELECTRONICALLY CONDUCTING POLYMERS J. O'M. Bockris and David Miller Department of Chemistry Texas A&M University College Station, Texas 77843 USA ABSTRACT. The new field of the electrochemistry of electronically conducting polymers is reviewed. A brief historical account traces the beginning of organic electrodes to Ka11mann and Pope, who, in 1960, observed charge injection and conductance in anthracene electrodes.

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.