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Atomic-Scale Modelling of Electrochemical Systems
Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of i...
One Hundred Years at the Intersection of Chemistry and Physics
This volume, occasioned by the centenary of the Fritz Haber Institute, formerly the Institute for Physical Chemistry and Electrochemistry, covers the institute's scientific and institutional history from its founding until the present. The institute was among the earliest established by the Kaiser Wilhelm Society, and its inauguration was one of the first steps in the development of Berlin-Dahlem into a center for scientific research. Its establishment was made possible by an endowment from Leopold Koppel, granted on the condition that Fritz Haber, well-known for his discovery of a method to synthesize ammonia from its elements, be made its director. The history of the institute has largely ...
Theoretical Surface Science
Recent years have witnessed tremendous progress in the theoretical treatment of surfaces and processes on surfaces. A variety of surface properties can now be described from first principles, 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. Based on the fundamental theoretical entity, the Hamiltonian, a hierarchy of theoretical methods is introduced. Furthermore, a detailed discussion of surface phenomena is given and comparisons made to experimental results made, making the book suitable for both graduate students and for experimentalists seeking an overview of the theoretical concepts in surface science.
Handbook of Materials Modeling
The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by a...
Electronic Structure
The study of electronic structure of materials is at a momentous stage, with new computational methods and advances in basic theory. Many properties of materials can be determined from the fundamental equations, and electronic structure theory is now an integral part of research in physics, chemistry, materials science and other fields. This book provides a unified exposition of the theory and methods, with emphasis on understanding each essential component. New in the second edition are recent advances in density functional theory, an introduction to Berry phases and topological insulators explained in terms of elementary band theory, and many new examples of applications. Graduate students and research scientists will find careful explanations with references to original papers, pertinent reviews, and accessible books. Each chapter includes a short list of the most relevant works and exercises that reveal salient points and challenge the reader.
Advances in Precision Nutrition, Personalization and Healthy Aging
This book provides an overview on current trends and developments in precision nutrition and personalized health preservation, focussing on a field which is undergoing rapid change. Today, personalized strategies contrast generally accepted guidelines for specified groups and improved health and disease markers are shifting health care toward preventive strategies. At the same time, advances in food additives, nutraceuticals, functional, and medical foods are breaking down the traditional domains of health-related disciplines. This book aims to provide an overview on these processes, discusses arising problems, and provides an outlook on the future of personalized health care and the role of precision nutrition. It covers preliminary thoughts on what has been achieved and focusses on developments in the area of metabolic diseases, aging, and neurology. The book is intended as a primer in the field of precision nutrition and is aimed at researchers, clinicians, and students in health-related disciplines, who would like to get insights into current trends and developments in this area
Semiconductors and Semimetals
Semiconductors and Semimetals
Epitaxial Microstructures
Newly developed semiconductor microstructures can now guide light and electrons resulting in important consequences for state-of-the-art electronic and photonic devices. This volume introduces a new generation of epitaxial microstructures. Special emphasis has been given to atomic control during growth and the interrelationship between the atomic arrangements and the properties of the structures. - Atomic-level control of semiconductor microstructures - Molecular beam epitaxy, metal-organic chemical vapor deposition - Quantum wells and quantum wires - Lasers, photon(IR)detectors, heterostructure transistors
Applying Molecular and Materials Modeling
Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.
Uncooled Infrared Imaging Arrays and Systems
This is the first book to describe an emerging but already growing technology of thermal imaging based on uncooled infrared imaging arrays and systems, which are the most exciting new developments in infrared technology today. This technology is of great importance to developers and users of thermal images for military and commercial applications. The chapters, prepared by world leaders in the technology, describe not only the mainstream efforts, but also exciting new approaches and fundamental limits applicable to all. - Unified approach to technology development based on fundamental limits - Individual chapters written by world leaders in each technology - Novel potential approaches, allowing for the reduction of costs, described in detail - Descriptive and analytical - Provides details of the mainstream approaches--resistive bolometric, pyroelectric/field enhanced pyroelectric, thermoelectric - Provides insight into a unified approach to development of all types of thermal imaging arrays Features state-of-the-art and selected new developments
