Luminescent Materials
A Quantum Chemical Approach for Computer-Aided Discovery and Design
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Beschreibung
This book describes a unique combination of quantum chemical methods for calculating the basic physical properties of luminescent materials, or phosphors. These solid inorganic materials containing an optically active dopant are key players in several major fields of societal interest, including energy-efficient lighting, solar cells, and medical imaging. The novel ab initio methods described in this book are especially designed to target the crowded and complex electronic excited states of lanthanide activators in inorganic solids. The book is well suited to both new and experienced researchers alike and appeals to a broad range of theoretical and experimental backgrounds. The material presented enables an adept understanding of elaborate calculations, which, in tandem with experiments, give essential insight into difficult luminescence problems and quandaries, thus fully preparing the reader for an educated search for new functional luminescent materials
This book describes a unique combination of quantum chemical methods for calculating the basic physical properties of luminescent materials, or phosphors. These solid inorganic materials containing an optically active dopant are key players in several major fields of societal interest, including energy-efficient lighting, solar cells, and medical imaging. The novel ab initio methods described in this book are especially designed to target the crowded and complex electronic excited states of lanthanide activators in inorganic solids. The book is well suited to both new and experienced researchers alike and appeals to a broad range of theoretical and experimental backgrounds. The material presented enables an adept understanding of elaborate calculations, which, in tandem with experiments, give essential insight into difficult luminescence problems and quandaries, thus fully preparing the reader for an educated search for new functional luminescent materials
Provides a detailed guide to understand and execute ab initio multiconfigurational calculations of luminescent materials Contains powerful numerical tools that give essential insight into basics of luminescence Equips the reader with the necessary information for computer-aided discovery of new luminescent materials
Autor*in
Zoila Barandiarán
Themen in »Luminescent Materials«
Ab Initio Calculations Luminescence Phosphors Excited States in Lanthanide Materials Electronic Structure of Lanthanide Dopants Energy Level Modeling of Optical Activators Configuration Coordinate Diagrams in Luminescence Solid-State Lighting Exited State Manifolds Embedded Cluster Methods