Luminescent Materials
A Quantum Chemical Approach for Computer-Aided Discovery and Design
Series: Springer Series in Materials Science; 322;
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71 001 Ft
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Product details:
- Edition number 1st ed. 2022
- Publisher Springer International Publishing
- Date of Publication 18 May 2023
- Number of Volumes 1 pieces, Book
- ISBN 9783030949860
- Binding Paperback
- See also 9783030949839
- No. of pages372 pages
- Size 235x155 mm
- Weight 605 g
- Language English
- Illustrations XXII, 372 p. 79 illus., 69 illus. in color. Illustrations, black & white 463
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Long description:
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
Table of Contents:
Introduction.- Ab initio multiconfigurational embedded cluster methods for luminescent materials.-Tutorial: Performing ab initio calculations on complex manifolds of excited states of lanthanides in solids.- Excited state manifolds of luminescent materials.- Fundamental studies on luminescence.- Many-electron state energy diagrams of activators in hosts.- Prospect: Towards computational design of luminescent materials.
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