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The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
Surface-Enhanced Raman Spectroscopy: Principles, Experiments, and Applications is a comprehensive, up to date, and balanced treatment of the theoretical and practical aspects of Surface-Enhanced Raman Scattering (SERS), a useful branch of spectroscopy for several areas of science. This book describes the basic principles of SERS, including SERS mechanisms, performing SERS measurements, and interpreting data. Also emphasized are applications in electrochemistry; catalysis; surface processing and corrosion; Self-Assemble-Layer and L-B Films; polymer science; biology; medicine and drug analysis; sensors; fuel cells; forensics; and archaeology. It is an essential guide for student and professional analytical chemists.
This volume reviews the latest trends in organic optoelectronic materials. Each comprehensive chapter allows graduate students and newcomers to the field to grasp the basics, whilst also ensuring that they have the most up-to-date overview of the latest research. Topics include: organic conductors and semiconductors; conducting polymers and conjugated polymer semiconductors, as well as their applications in organic field-effect-transistors; organic light-emitting diodes; and organic photovoltaics and transparent conducting electrodes. The molecular structures, synthesis methods, physicochemical and optoelectronic properties of the organic optoelectronic materials are also introduced and described in detail. The authors also elucidate the structures and working mechanisms of organic optoelectronic devices and outline fundamental scientific problems and future research directions. This volume is invaluable to all those interested in organic optoelectronic materials.
Nanomaterials for Hydrogen Storage Applications introduces nanomaterials and nanocomposites manufacturing and design for hydrogen storage applications. The book covers the manufacturing, design, characterization techniques and hydrogen storage applications of a range of nanomaterials. It outlines fundamental characterization techniques for nanocomposites to establish their suitability for hydrogen storage applications. Offering a sound knowledge of hydrogen storage application of nanocomposites, this book is an important resource for both materials scientists and engineers who are seeking to understand how nanomaterials can be used to create more efficient energy storage solutions. - Assesses the characterization, design, manufacture and application of different types of nanomaterials for hydrogen storage - Outlines the major challenges of using nanomaterials in hydrogen storage - Discusses how the use of nanotechnology is helping engineers create more effective hydrogen storage systems
The motion of a particle in a random potential in two or more dimensions is chaotic, and the trajectories in deterministically chaotic systems are effectively random. It is therefore no surprise that there are links between the quantum properties of disordered systems and those of simple chaotic systems. The question is, how deep do the connec tions go? And to what extent do the mathematical techniques designed to understand one problem lead to new insights into the other? The canonical problem in the theory of disordered mesoscopic systems is that of a particle moving in a random array of scatterers. The aim is to calculate the statistical properties of, for example, the quantum energy levels, wavefunctions, and conductance fluctuations by averaging over different arrays; that is, by averaging over an ensemble of different realizations of the random potential. In some regimes, corresponding to energy scales that are large compared to the mean level spacing, this can be done using diagrammatic perturbation theory. In others, where the discreteness of the quantum spectrum becomes important, such an approach fails. A more powerful method, devel oped by Efetov, involves representing correlation functions in terms of a supersymmetric nonlinear sigma-model. This applies over a wider range of energy scales, covering both the perturbative and non-perturbative regimes. It was proved using this method that energy level correlations in disordered systems coincide with those of random matrix theory when the dimensionless conductance tends to infinity.
Electrochemistry is an old branch of physical chemistry. Due to the development of surface sensitive techniques, and a technological interest in fuel cells and batteries, it has recently undergone a rapid development. This textbook treats the field from a modern, atomistic point of view while integrating the older, macroscopic concepts. The increasing role of theory is reflected in the presentation of the basic ideas in a way that should appeal to experimentalists and theorists alike. Special care is taken to make the subject comprehensible to scientists from neighboring disciplines, especially from surface science. The book is suitable for an advanced course at the master or Ph.D. level, but should also be useful for practicing electrochemists, as well as to any scientist who wants to understand modern electrochemistry.
Surface Enhanced Vibrational Spectroscopy (SEVS) has reached maturity as an analytical technique, but until now there has been no single work that describes the theory and experiments of SEVS. This book combines the two important techniques of surface-enhanced Raman scattering (SERS) and surface-enhanced infrared (SEIR) into one text that serves as the definitive resource on SEVS. Discusses both the theory and the applications of SEVS and provides an up-to-date study of the state of the art Offers interpretations of SEVS spectra for practicing analysts Discusses interpretation of SEVS spectra, which can often be very different to the non-enhanced spectrum - aids the practicing analyst
Thin Film Metal-Oxides provides a representative account of the fundamental structure-property relations in oxide thin films. Functional properties of thin film oxides are discussed in the context of applications in emerging electronics and renewable energy technologies. Readers will find a detailed description of deposition and characterization of metal oxide thin films, theoretical treatment of select properties and their functional performance in solid state devices, from leading researchers. Scientists and engineers involved with oxide semiconductors, electronic materials and alternative energy will find Thin Film Metal-Oxides a useful reference.
This book displays how optical (absorption, emission, and magnetic circular dichroism) spectra of phthalocyanines and related macrocyclic dyes can be varied from their prototypical ones depending on conditions. As these compounds can be involved in colorful chemistry (which might be driven by impurities in solvents), their spectra behave like the sea-god Proteus in their mutability. Therefore, those who have been engaged with phthalocyanines for the first time, including even educated professional researchers and engineers, may have been embarrassed by the deceptive behavior of their compounds and could have, in the worst cases, given up their projects. This book is aimed not merely at reviewing the optical spectra, but also at helping such people, particularly beginners, to figure them out by showing some examples of their prototypical spectra and their variations in several situations. For the purpose of better understanding, the book also provides an introduction to their theoretical backgrounds as graphically as possible and without mathematicization for readers who are weak in mathematics.