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Luminescent Materials [electronic resource] : A Quantum Chemical Approach for Computer-Aided Discovery and Design / by Zoila Barandiarán, Jonas Joos, Luis Seijo

Author
Barandiarán, Zoila
Published
Cham : Springer International Publishing : Imprint: Springer, 2022.
Edition
1st ed. 2022.
Physical Description
XXII, 372 p. 79 illus., 69 illus. in color. online resource
Additional Creators
Joos, Jonas, Seijo, Luis, and SpringerLink (Online service)
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Series
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.
Summary
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.
Subject(s)
ISBN
9783030949846
Digital File Characteristics
text file PDF
Part Of
Springer Nature eBook
View MARC record | catkey: 37759456