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

Until the 1980s, a tacit agreement among many physical oceanographers was that nothing deserving attention could be found in the upper few meters of the ocean. The lack of adequete knowledge about the near-surface layer of the ocean was mainly due to the fact that the widely used oceanographic instruments (such as bathythermographs, CTDs, current meters, etc.) were practically useless in the upper few meters of the ocean. Interest in the ne- surface layer of the ocean rapidly increased along with the development of remote sensing techniques. The interpretation of ocean surface signals sensed from satellites demanded thorough knowledge of upper ocean processes and their connection to the ocean interior. Despite its accessibility to the investigator, the near-surface layer of the ocean is not a simple subject of experimental study. Random, sometimes huge, vertical motions of the ocean surface due to surface waves are a serious complication for collecting quality data close to the ocean surface. The supposedly minor problem of avoiding disturbances from ships’ wakes has frustrated several generations of oceanographers attempting to take reliable data from the upper few meters of the ocean. Important practical applications nevertheless demanded action, and as a result several pioneering works in the 1970s and 1980s laid the foundation for the new subject of oceanography – the near-surface layer of the ocean.

Dynamics of Gas-Surface Scattering deals with the dynamics of scattering as inferred from known properties of gases and solids. This book discusses measurements of spatial distributions of scattered atomic and molecular streams, and of the energy and momentum which gas particles exchange at solid surfaces. It also considers two regimes of scattering, both of which are associated with a lower range of incident gas energies: the thermal and structure scattering regimes. Comprised of 10 chapters, this book opens with a brief historical overview of the early experiments that investigated the dynamics of scattering of gases by surfaces. The discussion then turns to some elements of the kinetic theory of gases; intermodular potentials and interaction regimes; and classical-mechanical lattice models used in gas-surface scattering theory. The applications of molecular beams to the study of gas-surface scattering phenomena are also described. The remaining chapters focus on experiments and theories on scattering of molecular streams by surfaces of solids, with emphasis on thermal and structure regimes of inelastic scattering; quantum theory of gas-surface scattering; and quantum mechanical scattering phenomena. This text concludes with an analysis of energy exchange processes that may occur when a solid surface is completely immersed in a still gas. This monograph will be a valuable resource for students and practitioners of physics, chemistry, and applied mathematics.

This book describes how the arrangement and movement of atoms in a solid are related to the forces between atoms, and how they affect the behaviour and properties of materials. The book is intended for final year undergraduate students and graduate students in physics and materials science.

Principles of Adsorption and Reaction on Solid Surfaces As with other books in the field, Principles of Adsorption and Reaction on Solid Surfaces describes what occurs when gases come in contact with various solid surfaces. But, unlike all the others, it also explains why. While the theory of surface reactions is still under active development, the approach Dr. Richard Masel takes in this book is to outline general principles derived from thermodynamics and reaction rate theory that can be applied to reactions on surfaces, and to indicate ways in which these principles may be applied. The book also provides a comprehensive treatment of the latest quantitative surface modeling techniques with numerous examples of their use in the fields of chemical engineering, physical chemistry, and materials science. A valuable working resource and an excellent graduate-level text, Principles of Adsorption and Reaction on Solid Surfaces provides readers with: * A detailed look at the latest advances in understanding and quantifying reactions on surfaces * In-depth reviews of all crucial background material * 40 solved examples illustrating how the methods apply to catalysis, physical vapor deposition, chemical vapor deposition, electrochemistry, and more * 340 problems and practice exercises * Sample computer programs * Universal plots of many key quantities * Detailed, class-tested derivations to help clarify key results The recent development of quantitative techniques for modeling surface reactions has led to a number of exciting breakthroughs in our understanding of what happens when gases come in contact with solid surfaces. While many books have appeared describing various experimental modeling techniques and the results obtained through their application, until now, there has been no single-volume reference devoted to the fundamental principles governing the processes observed. The first book to focus on governing principles rather than experimental techniques or specific results, Principles of Adsorption and Reaction on Solid Surfaces provides students and professionals with a quantitative treatment of the application of principles derived from the fields of thermodynamics and reaction rate theory to the investigation of gas adsorption and reaction on solid surfaces. Writing for a broad-based audience including, among others, chemical engineers, chemists, and materials scientists, Dr. Richard I. Masel deftly balances basic background in areas such as statistical mechanics and kinetics with more advanced applications in specialized areas. Principles of Adsorption and Reaction on Solid Surfaces was also designed to provide readers an opportunity to quickly familiarize themselves with all of the important quantitative surface modeling techniques now in use. To that end, the author has included all of the key equations involved as well as numerous real-world illustrations and solved examples that help to illustrate how the equations can be applied. He has also provided computer programs along with universal plots that make it easy for readers to apply results to their own problems with little computational effort. Principles of Adsorption and Reaction on Solid Surfaces is a valuable working resource for chemical engineers, physical chemists, and materials scientists, and an excellent text for graduate students in those disciplines.

This book focuses on the study of the interfacial water using molecular dynamics simulation and experimental sum frequency generation spectroscopy. It proposes a new definition of the free O-H groups at water-air interface and presents research on the structure and dynamics of these groups. Furthermore, it discusses the exponential decay nature of the orientation distribution of the free O-H groups of interfacial water and ascribes the origin of the down pointing free O-H groups to the presence of capillary waves on the surface. It also describes how, based on this new definition, a maximum surface H-bond density of around 200 K at ice surface was found, as the maximum results from two competing effects. Lastly, the book discusses the absorption of water molecules at the water–TiO2 interface. Providing insights into the combination of molecular dynamics simulation and experimental sum frequency generation spectroscopy, it is a valuable resource for researchers in the field.

Surface chemistry is an essential and developing area of physical chemistry and one that has become increasingly interdisciplinary. The Second Edition of Surface Science: Foundations of Catalysis and Nanoscience has been fully revised and updated to reflect all the latest developments in the field and now includes an extensive discussion about nanoparticle growth and the quantum confinement effects in nanoscale systems. Two new chapters have been added and discuss The Liquid/Solid Interface and Non-Thermal Reactions, and Photon and Electron Stimulated Chemistry and Atom Manipulation. There are now many more worked examples included throughout to help students develop their problem-solving skills.

The fact that the surfaces of real solids are geometrically distorted and chemically non-uniform has long been realized by the scientists investigating various phenomena occurring on solid surfaces. Even in the case when diffraction experiments show a well-organized bulk solid structure, the surface atoms or molecules will usually exhibit a much smaller degree of surface organization. In addition to the results obtained from electron diffraction, this can be seen in the impressive images obtained from STM and AFM microscopies. This geometric and chemical disorder is the source of the energetic heterogeneity for molecules adsorbing on real solid surfaces. Hundreds of papers have been published showing that this heterogeneity is a major factor in determining the behaviour of real adsorption systems.Studies of adsorption on energetically heterogeneous surfaces have proceeded along three somewhat separate paths, with only minor coupling of ideas. One was the study of adsorption equilibria on heterogeneous solid surfaces. The second path was the study of time evolution of adsorption processes such as surface diffusion or adsorption-desorption kinetics on heterogeneous surfaces, and the third was the study of adsorption in porous solids, or more generally, adsorption in systems with limited dimensions. The present monograph is a first attempt to provide a synthesis of the ways that surface geometric and energetic heterogeneities affect both the equilibria and the time evolution of adsorption on real solids. The book contains 17 chapters written by a team of internationally recognized specialists, some of whom have already published books on adsorption.

In this two volume festschrift, contributors explore the theoretical developments (Volume I) and applications (Volume II) in traditional cognitive psychology domains, and model other areas of human performance that benefit from rigorous mathematical approaches. It brings together former classmates, students and colleagues of Dr. James T. Townsend, a pioneering researcher in the field since the early 1960s, to provide a current overview of mathematical modeling in psychology. Townsend’s research critically emphasized a need for rigor in the practice of cognitive modeling, and for providing mathematical definition and structure to ill-defined psychological topics. The research captured demonstrates how the interplay of theory and application, bridged by rigorous mathematics, can move cognitive modeling forward.