Download or read book First principles Studies of the Reactivity of Oxygen on Transition Metal Surfaces written by Ye Xu and published by . This book was released on 2004 with total page 242 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Materials Science written by and published by Elsevier. This book was released on 2004-03-19 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational tools have been permanently deposited into the toolbox of theoretical chemists. The impact of new computational tools can hardly be overestimated, and their presence in research and applications is overwhelming. Theoretical methods such as quantum mechanics, molecular dynamics, and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs, and chemicals. This volume on Computational Material Sciences covers selected examples of notable applications of computational techniques to material science. The chapters contained in this volume include discussions of the phenomenon of chaos in chemistry, reaction network analysis, and mechanisms of formation of clusters. Details of more practical applications are also included in the form of reviews of computational design of new materials and the prediction of properties and structures of well known molecular assemblies. Current developments of effective computational methods, which will help in understanding, predicting, and optimizing periodic systems, nanostructures, clusters and model surfaces are also covered in this volume. - Reviews of current computational methods applied in material science - Reviews of practical applications of modelling of structures and properties of materials - Cluster and periodical approaches
Download or read book Chemisorption and Reactivity on Supported Clusters and Thin Films written by R.M. Lambert and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterogeneous catalysis provides the backbone of the world's chemical and oil industries. The innate complexity of practical catalytic systems suggests that useful progress should be achievable by investigating key aspects of catalysis by experimental studies on idealised model systems. Thin films and supported clusters are two promising types of model system that can be used for this purpose, since they mimic important aspects of the properties of practical dispersed catalysts. Similarly, appropriate theoretical studies of chemisorption and surface reaction clusters or extended slab systems can provide valuable information on the factors that underlie bonding and catalytic activity. This volume describes such experimental and theoretical approaches to the surface chemistry and catalytic behaviour of metals, metal oxides and metal/metal oxide systems. An introduction to the principles and main themes of heterogeneous catalysis is followed by detailed accounts of the application of modern experimental and theoretical techniques to fundamental problems. The application of advanced experimental methods is complemented by a full description of theoretical procedures, including Hartree-Fock, density functional and similar techniques. The relative merits of the various approaches are considered and directions for future progress are indicated.
Download or read book Encyclopedia of Interfacial Chemistry written by and published by Elsevier. This book was released on 2018-03-29 with total page 5276 pages. Available in PDF, EPUB and Kindle. Book excerpt: Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, Seven Volume Set summarizes current, fundamental knowledge of interfacial chemistry, bringing readers the latest developments in the field. As the chemical and physical properties and processes at solid and liquid interfaces are the scientific basis of so many technologies which enhance our lives and create new opportunities, its important to highlight how these technologies enable the design and optimization of functional materials for heterogeneous and electro-catalysts in food production, pollution control, energy conversion and storage, medical applications requiring biocompatibility, drug delivery, and more. This book provides an interdisciplinary view that lies at the intersection of these fields. Presents fundamental knowledge of interfacial chemistry, surface science and electrochemistry and provides cutting-edge research from academics and practitioners across various fields and global regions
Download or read book Handbook of Nanophysics written by Klaus D. Sattler and published by CRC Press. This book was released on 2010-09-17 with total page 912 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of nanoscience was pioneered in the 1980s with the groundbreaking research on clusters, which later led to the discovery of fullerenes. Handbook of Nanophysics: Clusters and Fullerenes focuses on the fundamental physics of these nanoscale materials and structures. Each peer-reviewed chapter contains a broad-based introduction and enhances
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.
Download or read book Theoretical Surface Science written by Axel Groß and published by Springer Science & Business Media. This book was released on 2009-09-16 with total page 348 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress continues in the theoretical treatment of surfaces and processes on surfaces based on first-principles methods, i.e. without invoking any empirical parameters. In this book, the theoretical concepts and computational tools necessary and relevant for a microscopic approach to the theoretical description of surface science is presented, together with a detailed discussion of surface phenomena. This makes the book suitable for both graduate students and for experimentalists seeking an overview of the theoretical concepts in surface science. This second enlarged edition has been carefully revised and updated, a new chapter on surface magnetism is included, and novel developments in theoretical surface science are addressed.
Download or read book Metal Oxides in Supercapacitors written by Deepak P. Dubal and published by Elsevier. This book was released on 2017-07-10 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal Oxides in Supercapacitors addresses the fundamentals of metal oxide-based supercapacitors and provides an overview of recent advancements in this area. Metal oxides attract most of the materials scientists use due to their excellent physico-chemical properties and stability in electrochemical systems. This justification for the usage of metal oxides as electrode materials in supercapacitors is their potential to attain high capacitance at low cost. After providing the principles, the heart of the book discusses recent advances, including: binary metal oxides-based supercapacitors, nanotechnology, ternary metal oxides, polyoxometalates and hybrids. Moreover, the factors affecting the charge storage mechanism of metal oxides are explored in detail. The electrolytes, which are the soul of supercapacitors and a mostly ignored character of investigations, are also exposed in depth, as is the fabrication and design of supercapacitors and their merits and demerits. Lastly, the market status of supercapacitors and a discussion pointing out the future scope and directions of next generation metal oxides based supercapacitors is explored, making this a comprehensive book on the latest, cutting-edge research in the field. - Explores the most recent advances made in metal oxides in supercapacitors - Discusses cutting-edge nanotechnology for supercapacitors - Includes fundamental properties of metal oxides in supercapacitors that can be used to guide and promote technology development - Contains contributions from leading international scientists active in supercapacitor research and manufacturing
Download or read book Frontiers in Surface Science and Interface Science written by C.B. Duke and published by Gulf Professional Publishing. This book was released on 2002-05-21 with total page 1076 pages. Available in PDF, EPUB and Kindle. Book excerpt: Any notion that surface science is all about semiconductors and coatings is laid to rest by this encyclopedic publication: Bioengineered interfaces in medicine, interstellar dust, DNA computation, conducting polymers, the surfaces of atomic nuclei - all are brought up to date. Frontiers in Surface and Interface Science - a milestone publication deserving a wide readership. It combines a sweeping expert survey of research today with an educated look into the future. It is a future that embraces surface phenomena on scales from the subatomic to the galactic, as well as traditional topics like semiconductor design, catalysis, and surface processing, modeling and characterization. And, great efforts have been made to express sophisticated ideas in an attractive and accessible way. Nanotechnology, surfaces for DNA computation, polymer-based electronics, soft surfaces, interstellar surface chemistry - all feature in this comprehensive collection.
Download or read book Springer Handbook of Surface Science written by Mario Rocca and published by Springer Nature. This book was released on 2021-01-14 with total page 1273 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook delivers an up-to-date, comprehensive and authoritative coverage of the broad field of surface science, encompassing a range of important materials such metals, semiconductors, insulators, ultrathin films and supported nanoobjects. Over 100 experts from all branches of experiment and theory review in 39 chapters all major aspects of solid-state surfaces, from basic principles to applications, including the latest, ground-breaking research results. Beginning with the fundamental background of kinetics and thermodynamics at surfaces, the handbook leads the reader through the basics of crystallographic structures and electronic properties, to the advanced topics at the forefront of current research. These include but are not limited to novel applications in nanoelectronics, nanomechanical devices, plasmonics, carbon films, catalysis, and biology. The handbook is an ideal reference guide and instructional aid for a wide range of physicists, chemists, materials scientists and engineers active throughout academic and industrial research.
Download or read book The Role of Non Stoichiometry in the Functional Properties of Oxide Materials written by Maria Veronica Ganduglia-Pirovano and published by Frontiers Media SA. This book was released on 2019-12-09 with total page 160 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Synthesis Properties and Applications of Oxide Nanomaterials written by José A. Rodriguez and published by John Wiley & Sons. This book was released on 2007-03-30 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt: Current oxide nanomaterials knowledge to draw from and build on Synthesis, Properties, and Applications of Oxide Nanomaterials summarizes the existing knowledge in oxide-based materials research. It gives researchers one comprehensive resource that consolidates general theoretical knowledge alongside practical applications. Organized by topic for easy access, this reference: * Covers the fundamental science, synthesis, characterization, physicochemical properties, and applications of oxide nanomaterials * Explains the fundamental aspects (quantum-mechanical and thermodynamic) that determine the behavior and growth mode of nanostructured oxides * Examines synthetic procedures using top-down and bottom-up fabrication technologies involving liquid-solid or gas-solid transformations * Discusses the sophisticated experimental techniques and state-of-the-art theory used to characterize the structural and electronic properties of nanostructured oxides * Describes applications such as sorbents, sensors, ceramic materials, electrochemical and photochemical devices, and catalysts for reducing environmental pollution, transforming hydrocarbons, and producing hydrogen With its combination of theory and real-world applications plus extensive bibliographic references, Synthesis, Properties, and Applications of Oxide Nanomaterials consolidates a wealth of current, complex information in one volume for practicing chemists, physicists, and materials scientists, and for engineers and researchers in government, industry, and academia. It's also an outstanding reference for graduate students in chemistry, chemical engineering, physics, and materials science.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1994-12 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dynamics of Gas Surface Interactions written by Ricardo Diez Muino and published by Springer Science & Business Media. This book was released on 2013-02-26 with total page 439 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives a representative survey of the state of the art of research on gas-surface interactions. It provides an overview of the current understanding of gas surface dynamics and, in particular, of the reactive and non-reactive processes of atoms and small molecules at surfaces. Leading scientists in the field, both from the theoretical and the experimental sides, write in this book about their most recent advances. Surface science grew as an interdisciplinary research area over the last decades, mostly because of new experimental technologies (ultra-high vacuum, for instance), as well as because of a novel paradigm, the ‘surface science’ approach. The book describes the second transformation which is now taking place pushed by the availability of powerful quantum-mechanical theoretical methods implemented numerically. In the book, experiment and theory progress hand in hand with an unprecedented degree of accuracy and control. The book presents how modern surface science targets the atomic-level understanding of physical and chemical processes at surfaces, with particular emphasis on dynamical aspects. This book is a reference in the field.
Download or read book Oxide Surfaces written by and published by Elsevier. This book was released on 2001-05-21 with total page 677 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book is a multi-author survey (in 15 chapters) of the current state of knowledge and recent developments in our understanding of oxide surfaces. The author list includes most of the acknowledged world experts in this field. The material covered includes fundamental theory and experimental studies of the geometrical, vibrational and electronic structure of such surfaces, but with a special emphasis on the chemical properties and associated reactivity. The main focus is on metal oxides but coverage extends from 'simple' rocksalt materials such as MgO through to complex transition metal oxides with different valencies.
Download or read book Defects at Oxide Surfaces written by Jacques Jupille and published by Springer. This book was released on 2015-02-09 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the basics and characterization of defects at oxide surfaces. It provides a state-of-the-art review of the field, containing information to the various types of surface defects, describes analytical methods to study defects, their chemical activity and the catalytic reactivity of oxides. Numerical simulations of defective structures complete the picture developed. Defects on planar surfaces form the focus of much of the book, although the investigation of powder samples also form an important part. The experimental study of planar surfaces opens the possibility of applying the large armoury of techniques that have been developed over the last half-century to study surfaces in ultra-high vacuum. This enables the acquisition of atomic level data under well-controlled conditions, providing a stringent test of theoretical methods. The latter can then be more reliably applied to systems such as nanoparticles for which accurate methods of characterization of structure and electronic properties have yet to be developed. The book gives guidance to tailor oxide surfaces by controlling the nature and concentration of defects. The importance of defects in the physics and chemistry of metal oxide surfaces is presented in this book together with the prominent role of oxides in common life. The book contains contributions from leaders in the field. It serves as a reference for experts and beginners in the field.
Download or read book On Solar Hydrogen and Nanotechnology written by Lionel Vayssieres and published by John Wiley & Sons. This book was released on 2010-01-26 with total page 706 pages. Available in PDF, EPUB and Kindle. Book excerpt: More energy from the sun strikes Earth in an hour than is consumed by humans in an entire year. Efficiently harnessing solar power for sustainable generation of hydrogen requires low-cost, purpose-built, functional materials combined with inexpensive large-scale manufacturing methods. These issues are comprehensively addressed in On Solar Hydrogen & Nanotechnology – an authoritative, interdisciplinary source of fundamental and applied knowledge in all areas related to solar hydrogen. Written by leading experts, the book emphasizes state-of-the-art materials and characterization techniques as well as the impact of nanotechnology on this cutting edge field. Addresses the current status and prospects of solar hydrogen, including major achievements, performance benchmarks, technological limitations, and crucial remaining challenges Covers the latest advances in fundamental understanding and development in photocatalytic reactions, semiconductor nanostructures and heterostructures, quantum confinement effects, device fabrication, modeling, simulation, and characterization techniques as they pertain to solar generation of hydrogen Assesses and establishes the present and future role of solar hydrogen in the hydrogen economy Contains numerous graphics to illustrate concepts, techniques, and research results On Solar Hydrogen & Nanotechnology is an essential reference for materials scientists, physical and inorganic chemists, electrochemists, physicists, and engineers carrying out research on solar energy, photocatalysis, or semiconducting nanomaterials, both in academia and industry. It is also an invaluable resource for graduate students and postdoctoral researchers as well as business professionals and consultants with an interest in renewable energy.
