Molecular surface science has made enormous progress in the past 30 years. The development can be characterized by a revolution in fundamental knowledge obtained from simple model systems and by an explosion in the number of experimental techniques. The last 10 years has seen an equally rapid development of quantum mechanical modeling of surface processes using Density Functional Theory (DFT). Chemical Bonding at Surfaces and Interfaces focuses on phenomena and concepts rather than on experimental or theoretical techniques. The aim is to provide the common basis for describing the interaction of atoms and molecules with surfaces and this to be used very broadly in science and technology. The book begins with an overview of structural information on surface adsorbates and discusses the structure of a number of important chemisorption systems. Chapter 2 describes in detail the chemical bond between atoms or molecules and a metal surface in the observed surface structures. A detailed description of experimental information on the dynamics of bond-formation and bond-breaking at surfaces make up Chapter 3. Followed by an in-depth analysis of aspects of heterogeneous catalysis based on the d-band model. In Chapter 5 adsorption and chemistry on the enormously important Si and Ge semiconductor surfaces are covered. In the remaining two Chapters the book moves on from solid-gas interfaces and looks at solid-liquid interface processes. In the final chapter an overview is given of the environmentally important chemical processes occurring on mineral and oxide surfaces in contact with water and electrolytes. - Gives examples of how modern theoretical DFT techniques can be used to design heterogeneous catalysts - This book suits the rapid introduction of methods and concepts from surface science into a broad range of scientific disciplines where the interaction between a solid and the surrounding gas or liquid phase is an essential component - Shows how insight into chemical bonding at surfaces can be applied to a range of scientific problems in heterogeneous catalysis, electrochemistry, environmental science and semiconductor processing - Provides both the fundamental perspective and an overview of chemical bonding in terms of structure, electronic structure and dynamics of bond rearrangements at surfaces

This book summarizes the actual state of the art and future trends of surface effects in solid mechanics. Surface effects are more and more important in the precise description of the behavior of advanced materials. One of the reasons for this is the well-known from the experiments fact that the mechanical properties are significantly influenced if the structural size is very small like, for example, nanostructures. In this book, various authors study the influence of surface effects in the elasticity, plasticity, viscoelasticity. In addition, the authors discuss all important different approaches to model such effects. These are based on various theoretical frameworks such as continuum theories or molecular modeling. The book also presents applications of the modeling approaches.

Surface effects in adhesion, friction, wear, and lubrication

The study of the interaction of molecules with surfaces and interfaces is of great importance for the understanding of adsorption and catalysis on solid surfaces, the complex properties of molecules on fluid interfaces and the relationship between structure and functionality in macromolecular biological systens. It is the aim of this volume to present and analyse in a comprehensive and accesible way the methodical achievements and the recent proress in this field. The broadness of both scope and selection of the topics should help in particular non-expert readers to become familiar with this exciting field of research.

This NATO Advanced Study Institute centered on large-scale molecular systems: Quantum mechanics, although providing a general framework for the description of matter, is not easily applicable to many concrete systems of interest; classical statistical methods, on the other hand, allow only a partial picture of the behaviour of large systems. The aim of the ASI was to present both aspects of the subject matter and to foster interaction between the scientists working in these important areas of theoretical physics and theoretical chemistry. The quantum-mechanical part was mostly based on the operator-algebraic formulation of quantum mechanics and comprised quantum statistics of infinite systems with special em phasis on macroscopic observables, equilibrium conditions, irreversibility on the one hand, symmetry breaking for molecules in the radiation field and macroscopic quantum phenomena in the theory of superconductivity (BCS-theory) on the other hand. In addition, phase-space methods for many-body systems were also presented. Statistical physics was the main topic in the other lectures of the School; much emphasis was put on the statistical features of macros copic ("large") systems, the lectures dealt with mass and energy transport im polymers, in gels and in microemulsions, with aggregation and growth phenomena, with relaxation in complex, correlated systems, with conduction and optical properties of polymers, and with the means of describing disordered systems, above all fractals and related hierarchical models.

Fuzzy Logic has gained increasing acceptance as a way to deal with complexity and uncertainty in many areas of science and engineering. This book is the first to address its practical applications to chemical systems. Ten distinguished authors discuss the role of fuzzy logic in the characterization of a variety of chemical concepts, including chirality, quantum systems, molecular engineering and design, and hierarchical classification methods. Fuzzy Logic in Chemistry will appeal to both students and professionals who are seeking to learn more about theory and applications in an area of growing importance to the physical sciences. - The first book on the applications of fuzzy logic in chemistry - Covers a topic relevant to many disciplines, including molecular design - Discusses applications of fuzzy logic to the physical sciences, a rapidly growing area - Features chapters from highly distinguished authors in the physical sciences

The purpose of this Conference was to discuss the results of recent developments and the future prospect in science and technology of the field. The field has been growing and flourishing, while indicating many problems to be uncovered and solved. The conference was structured to encourage interaction and to stimulate the exchange of ideas to accomplish the above purpose.Key issues and materials related to the Conference were included as follows: • Molecular Assemblies in Solutions; • Fine Particles and Colloidal Dispersions; • Supramolecular Organized Films; • Nanostructural Solid Surfaces; • Industrial Applications and Products.The Conference comprised 2 plenary lectures, 42 invited lectures, 150 oral presentations and 266 poster presentations.