Ligated Transition Metal Clusters In Solid State Chemistry
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Ligated Transition Metal Clusters in Solid-state Chemistry by Jean-François Halet Pdf
This volume dedicated to the memory of Marcel Sergent who was a leader in this field for many years, addresses past achievements and recent developments in this vibrant area of research. Large classes of ligated transition metal clusters are produced either exclusively or most reliably by means of high-temperature solid-state reactions. Among them, the Chevrel-Sergent phases and related materials have generated enormous interest since their discovery in 1971. Today, these materials and their numerous derivatives still constitute a vivid area of research finding some applications not only in superconductivity, but also in catalysis, optics or thermoelectricity to mention a few.
Explore the theory and applications of superatomic clusters and cluster assembled materials Superatoms: Principles, Synthesis and Applications delivers an insightful and exciting exploration of an emerging subfield in cluster science, superatomic clusters and cluster assembled materials. The book presents discussions of the fundamentals of superatom chemistry and their application in catalysis, energy, materials science, and biomedical sciences. Readers will discover the foundational significance of superatoms in science and technology and learn how they can serve as the building blocks of tailored materials, promising to usher in a new era in materials science. The book covers topics as varied as the thermal and thermoelectric properties of cluster-based materials and clusters for CO2 activation and conversion, before concluding with an incisive discussion of trends and directions likely to dominate the subject of superatoms in the coming years. Readers will also benefit from the inclusion of: A thorough introduction to the rational design of superatoms using electron-counting rules Explorations of superhalogens, endohedrally doped superatoms and assemblies, and magnetic superatoms A practical discussion of atomically precise synthesis of chemically modified superatoms A concise treatment of superatoms as the building blocks of 2D materials, as well as superatom-based ferroelectrics and cluster-based materials for energy harvesting and storage Perfect for academic researchers and industrial scientists working in cluster science, energy materials, thermoelectrics, 2D materials, and CO2 conversion, Superatoms: Principles, Synthesis and Applications will also earn a place in the libraries of interested professionals in chemistry, physics, materials science, and nanoscience.
Computational Materials Discovery by Artem Oganov,Gabriele Saleh,Alexander Kvashnin Pdf
New technologies are made possible by new materials, and until recently new materials could only be discovered experimentally. Recent advances in solving the crystal structure prediction problem means that the computational design of materials is now a reality. Computational Materials Discovery provides a comprehensive review of this field covering different computational methodologies as well as specific applications of materials design. The book starts by illustrating how and why first-principle calculations have gained importance in the process of materials discovery. The book is then split into three sections, the first exploring different approaches and ideas including crystal structure prediction from evolutionary approaches, data mining methods and applications of machine learning. Section two then looks at examples of designing specific functional materials with special technological relevance for example photovoltaic materials, superconducting materials, topological insulators and thermoelectric materials. The final section considers recent developments in creating low-dimensional materials. With contributions from pioneers and leaders in the field, this unique and timely book provides a convenient entry point for graduate students, researchers and industrial scientists on both the methodologies and applications of the computational design of materials.
Author : Edward I. Solomon,Robert A. Scott,R. Bruce King Publisher : John Wiley & Sons Page : 980 pages File Size : 45,7 Mb Release : 2013-02-19 Category : Science ISBN : 9781118617243
Computational Inorganic and Bioinorganic Chemistry by Edward I. Solomon,Robert A. Scott,R. Bruce King Pdf
Over the past several decades there have been major advances in our ability to computationally evaluate the electronic structure of inorganic molecules, particularly transition metal systems. This advancement is due to the Moore’s Law increase in computing power as well as the impact of density functional theory (DFT) and its implementation in commercial and freeware programs for quantum chemical calculations. Improved pure and hybrid density functionals are allowing DFT calculations with accuracy comparable to high-level Hartree-Fock treatments, and the results of these calculations can now be evaluated by experiment. When calculations are correlated to, and supported by, experimental data they can provide fundamental insight into electronic structure and its contributions to physical properties and chemical reactivity. This interplay continues to expand and contributes to both improved value of experimental results and improved accuracy of computational predictions. The purpose of this EIC Book is to provide state-of-the-art presentations of quantum mechanical and related methods and their applications, written by many of the leaders in the field. Part 1 of this volume focuses on methods, their background and implementation, and their use in describing bonding properties, energies, transition states and spectroscopic features. Part 2 focuses on applications in bioinorganic chemistry and Part 3 discusses inorganic chemistry, where electronic structure calculations have already had a major impact. This addition to the EIC Book series is of significant value to both experimentalists and theoreticians, and we anticipate that it will stimulate both further development of the methodology and its applications in the many interdisciplinary fields that comprise modern inorganic and bioinorganic chemistry. This volume is also available as part of Encyclopedia of Inorganic Chemistry, 5 Volume Set. This set combines all volumes published as EIC Books from 2007 to 2010, representing areas of key developments in the field of inorganic chemistry published in the Encyclopedia of Inorganic Chemistry. Find out more.
Thermoelectric Micro / Nano Generators, Volume 1 by Hiroyuki Akinaga,Atsuko Kosuga,Takao Mori,Gustavo Ardila Pdf
This book explores a key technology regarding the importance of connections via an Internet of Things network and how this helps us to easily communicate with others and gather information. Namely, what would happen if this suddenly became unavailable due to a shortage of power or electricity? Using thermoelectric generators is a viable solution as they use the heat around us to generate the much-needed electricity for our technological needs. This first volume explores the computational and data-driven development of these thermoelectric generators, as well as the use of various abundant materials such as copper and silver chalcogenides and nanocarbons. It also offers reviews on universal property enhancement principles and the case of strongly correlated oxides, and goes on to explore the metrology of the thermal properties of thermoelectric generators, detailing methods of how to measure the absolute Seebeck coefficient using the Thomson effect and the thermal diffusivity of thin films using the ultrafast laser flash method.
Metal Clusters and Their Reactivity by Zhixun Luo,Shiv N. Khanna Pdf
This book discusses current techniques and instrumentation for cluster chemistry. It addresses both the experimental and theoretical aspects of gas-phase metal cluster reactivities, especially those pertaining to pollution removal, energetic reactions and corrosion and anticorrosion. These metal cluster systems have attracted enormous interest as they display a completely new class of physical, chemical, electronic, magnetic and catalytic properties. As these properties change with size and composition, it can thus be understood how their nature evolves from atoms to bulk solids. The book offers readers a basic understanding of the structural chemistry and reactivity of metal clusters in both gas-phase and wet chemistry. Further, the lessons they learn here regarding metal cluster chemistry will prepare researchers for the study of condensed phase dynamics that pertain to wet chemical synthesis, soft-landing deposition and cluster assembly.
Solid Compounds of Transition Elements II by Yuriy Verbovytskyy,Antonio Pereira Gonçalves Pdf
Volume is indexed by Thomson Reuters CPCI-S (WoS). This collection covers processes and synthesis, crystal chemistry, phase equilibria, thermodynamics, magnetic and electrical properties, theory, electronic structure, chemical bonding and applications of intermetallic compounds, pnictides, chalcogenides, oxides, halides and other solid compounds containing transition elements. It provides an excellent overview of recent advances in topics relevant to solid compounds with transition elements, and will constitute an excellent reference source for scientists and other working in this field.
This book offers a comprehensive overview of the rapidly developing field of cluster science. In an interdisciplinary approach, basic concepts as well as recent developments in research and practical applications are authoritatively discussed by leading authors. Topics covered include 'naked' metal clusters, clusters stabilized by ligands, clusters in solids, and colloids. The reader will find answers to questions like: * How many metal atoms must a particle have to exhibit metallic properties? * How can the large specific surface of clusters and colloids be employed in catalysts? * How can metal clusters be introduced into solid hosts? * Which effects are responsible for the transition from isolated to condensed clusters? The editor has succeeded in bringing the contributions of various authors together into a homogeneous, readable book, which will be useful for the academic and industrial reader alike.
Author : D. M. P. Mingos,David J. Wales Publisher : Unknown Page : 344 pages File Size : 43,5 Mb Release : 1990 Category : Science ISBN : STANFORD:36105030842707
50th Anniversary of Electron Counting Paradigms for Polyhedral Molecules by D. Michael P. Mingos Pdf
The 50 Year Anniversary of the development of electron counting paradigms is celebrated in two volumes of Structure and Bonding. Volume 2 covers applications to metal and metalloid clusters of the transition and post-transition elements
Solid Compounds of Transition Elements III by Ernst Bauer,Daniel Fruchart,Herwig Michor,Herbert Müller Pdf
This volume of the journal contains papers presented at the 21st International Conference on Solid Compounds of Transition Elements, SCTE 2018 which was held in the Technische Universität Wien, Austria, from March 25 to March 29, 2018. The conference was dedicated to fundamental and applied research regarding structure, crystal chemistry, chemical bonding, as well as with magnetic, thermodynamic, phononic and electronic properties of different classes of intermetallic compounds. Hydrides, borides, carbides, silicides and homologues, pnictides, chalcogenides, oxides and halides (especially those of low oxidation states exhibiting metal or semimetal properties) were in the focus of the conference also.
