Luminescent Materials
Springer International Publishing (Verlag)
978-3-030-94983-9 (ISBN)
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
lt;p> Zoila Barandiarán is Professor of Chemistry at Universidad Autónoma de Madrid. After a PhD from Universidad de Oviedo, Spain, she completed her background in quantum chemistry under the postdoctoral supervision of Professor Sigeru Huzinaga in Canada. She has held an appointment as Visiting Professor at the University of Canterbury, Christchurch, New Zealand, and as a visiting researcher during one-year periods at the Lawrence Berkeley National Laboratory and Universiteit Utrecht, The Netherlands. She teaches courses on general chemistry, physical chemistry and quantum chemistry.
Jonas Joos is a postdoctoral researcher at Universidad Autónoma de Madrid and Ghent University. He obtained his master's degree and PhD from Ghent University in Belgium. His research focuses on probing the atomic-scale origins of novel optical and electronic properties using a combined experimental-theoretical methodology. This includes the use of synchrotron x-ray spectroscopy combined with theoretical methods that range from empirical models to crystal-field and density functional theory and ab initio multiconfigurational calculations.
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.
Erscheinungsdatum | 18.05.2022 |
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Reihe/Serie | Springer Series in Materials Science |
Zusatzinfo | XXII, 372 p. 79 illus., 69 illus. in color. |
Verlagsort | Cham |
Sprache | englisch |
Maße | 155 x 235 mm |
Gewicht | 751 g |
Themenwelt | Technik ► Elektrotechnik / Energietechnik |
Technik ► Maschinenbau | |
Schlagworte | ab initio calculations • Configuration Coordinate Diagrams in Luminescence • Configuration Coordinate Diagrams in Luminiscence • Electronic Structure of Lanthanide Dopants • Embedded Cluster Methods • Energy Level Modeling of Optical Activators • Excited States in Lanthanide Materials • Exited State Manifolds • Luminescence Phosphors • Luminiscence Phosphors • solid-state lighting |
ISBN-10 | 3-030-94983-4 / 3030949834 |
ISBN-13 | 978-3-030-94983-9 / 9783030949839 |
Zustand | Neuware |
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