Physics and Chemistry of Finite Systems: From Clusters to Crystals


Book Description

Recent innovations in experimental techniques such as molecular and cluster beam epitaxy, supersonic jet expansion, matrix isolation and chemical synthesis are increasingly enabling researchers to produce materials by design and with atomic dimension. These materials constrained by sire, shape, and symmetry range from clusters containing as few as two atoms to nanoscale materials consisting of thousands of atoms. They possess unique structuraI, electronic, magnetic and optical properties that depend strongly on their size and geometry. The availability of these materials raises many fundamental questions as weIl as technological possibilities. From the academic viewpoint, the most pertinent question concerns the evolution of the atomic and electronic structure of the system as it grows from micro clusters to crystals. At what stage, for example, does the cluster look as if it is a fragment of the corresponding crystal. How do electrons forming bonds in micro-clusters transform to bands in solids? How do the size dependent properties change from discrete quantum conditions, as in clusters, to boundary constrained bulk conditions, as in nanoscale materials, to bulk conditions insensitive to boundaries? How do the criteria of classification have to be changed as one goes from one size domain to another? Potential for high technological applications also seem to be endless. Clusters of otherwise non-magnetic materials exhibit magnetic behavior when constrained by size, shape, and dimension. NanoscaIe metal particles exhibit non-linear opticaI properties and increased mechanical strength. SimiIarly, materials made from nanoscale ceramic particIes possess plastic behavior.




Cluster Ion-Solid Interactions


Book Description

Cluster Ion-Solid Interactions: Theory, Simulation, and Experiment provides an overview of various concepts in cluster physics and related topics in physics, including the fundamentals and tools underlying novel cluster ion beam technology. The material is based on the author's highly regarded courses at Kyoto University, Purdue University, the Mos




Quasicrystals


Book Description

In 1984 physicists discovered a monster in the world of crystallography, a structure that appeared to contain five-fold symmetry axes, which cannot exist in strictly periodic structures. Such quasi-periodic structures became known as quasicrystals. A previously formulated theory in terms of higher dimensional space groups was applied to them and new alloy phases were prepared which exhibited the properties expected from this model more closely. Thus many of the early controversies were dissolved. In 2011, the Nobel Prize for Chemistry was awarded to Dan Shechtman for the discovery of quasicrystals. This primer provides a descriptive approach to the subject for those coming to it for the first time. The various practical, experimental, and theoretical topics are dealt with in an accessible style. The book is completed by problem sets and there is a computer program that generates a Penrose lattice.




Metal-Ligand Interactions


Book Description

Metal-Ligand Interactions - Structure and Reactivity emphasizes the experimental determination of structure and dynamics, supported by the theoretical and computational approaches needed to establish the concepts and guide the experiments. Leading experts present masterly surveys of: clusters, inorganic complexes, surfaces, catalysis, ab initio theory, density functional theory,semiempirical methods, and dynamics. Besides the presentations of the fields of study themselves, the papers also bring out those aspects that impinge on, or could benefit from, progress in other disciplines. Refined in the fire of an interactive and stimulating conference, the papers presented here represent the state of the art of current research.




Density Functional Theory


Book Description

Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the molecular characteristics of the species of interest but also on the provision of interesting concepts that aid in a better understanding of the chemical reactivity of the systems under study. This book presents examples of recent advances, new perspectives, and applications of DFT for the understanding of chemical reactivity through descriptors forming the basis of Conceptual DFT as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic, social, and industrial interest.




The Synergy Between Dynamics and Reactivity at Clusters and Surfaces


Book Description

The analogy between the chemistry of molecular transition metal clusters and the processes of chemisorption and catalysis at metal surfaces (the Cluster Surface analogy) has for a number of years provided an interplay between experimental and theoretical inorganic and physical chemists. This collaborative approach has born fruit in the use of well defined modes of metal-ligand bonding in discrete molecular clusters, models for metal-ligand binding on surfaces. Some of the key topics discussed in The Synergy between Dynamics and Reactivity at Clusters and Surfaces are: (1) Mechanisms of the fluxional behaviour in clusters in the liquid phase and the connections with diffusion processes on extended surfaces. The role of metal-metal bond breaking in diffusion. (2) Analogies in the structure of chemisorbed species and related ligands on metallic clusters. (3) Analogies between benzene surface chemistry on extended metal surfaces and on metal surfaces in molecular cluster compounds with particular reference to structural distortions. (4) The role of mobile precursors for dissociation of chemisorption on extended metals and on clusters. Are there analogies in the ligand attachment during cluster compound synthesis? (5) The role of defect sites on metal surfaces in catalyzing chemical reactions and the connection to the special bonding properties of sites on metal clusters having lowest metal-metal coordination. (6) The size of metal clusters needed to mimic surface phenomena on bulk metal surfaces. Different sites needed for different phenomena.




Handbook of Nanophysics


Book Description

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




Nanomaterials


Book Description

Nanomaterials: Synthesis, Properties and Applications provides a comprehensive introduction to nanomaterials, from how to make them to example properties, processing techniques, and applications. Contributions by leading international researchers and teachers in academic, government, and industrial institutions in nanomaterials provide an accessible guide for newcomers to the field. The coverage ranges from isolated clusters and small particles to nanostructured materials, multilayers, and nanoelectronics. The book contains a wealth of references for further reading. Individual chapters deal with relevant aspects of the underlying physics, materials science, and physical chemistry.




Large Clusters of Atoms and Molecules


Book Description

Proceedings of the NATO Advanced Study Institute, Erice, Sicily, Italy, June 19-29, 1995




Progress in Experimental and Theoretical Studies of Clusters


Book Description

The cluster which is an ensemble of two thousands of atoms or molecules, has emerged as a completely new class of materials at the frontier of materials science. The frontier of cluster science extends so rapidly that the map of the science is renewed day by day. In order to provide basic knowledge and recent information on this growing field, 14 world-renowned scientists who are actively involved experimentally and theoretically in cluster science have written this book, which is concise, comprehensive, suitable for students at both the undergraduate and the graduate level, as well as people who work outside cluster science.