This book provides an easily understandable introduction to solid state physics for chemists and engineers. Band theory is introduced as an extension of molecular orbital theory, and its application to organic materials is described. Phenomena beyond band theory are treated in relation to magnetism and electron correlation, which are explained in terms of the valence bond theory and the Coulomb and exchange integrals. After the fundamental concepts of magnetism are outlined, the relation of correlation and superconductivity is described without assuming a knowledge of advanced physics. Molecular design of organic conductors and semiconductors is discussed from the standpoint of oxidation-reduction potentials, and after a brief survey of organic superconductors, various applications of organic semiconductor devices are described. This book will be useful not only for researchers but also for graduate students as a valuable reference.

This book presents studies and discussions on anionic redox, which can be used to boost the capacities of cathode electrodes by providing extra electron transfer. This theoretically and practically significant book facilitates the implementation of anionic redox in electrodes for real-world use and accelerates the development of high-energy-density lithium-ion batteries. Lithium-ion batteries, as energy storage systems, are playing a more and more important role in powering modern society. However, their energy density is still limited by the low specific capacity of the cathode electrodes. Based on a profound understanding of band theory, the author has achieved considerable advances in tuning the redox process of lithium-rich electrodes to obtain enhanced electrochemical performance, identifying both the stability mechanism of anionic redox in lithium-rich cathode materials, and its activation mechanism in these electrode systems.

The expected end of the "oil age" will lead to increasing focus and reliance on alternative energy conversion devices, among which fuel cells have the potential to play an important role. Not only can phosphoric acid and solid oxide fuel cells already efficiently convert today's fossil fuels, including methane, into electricity, but other types of fuel cells, such as polymer electrolyte membrane fuel cells, have the potential to become the cornerstones of a possible future hydrogen economy. Featuring 21 peer-reviewed entries from the Encyclopedia of Sustainability Science and Technology, Fuel Cells offers concise yet comprehensive coverage of the current state of research and identifies key areas for future investigation. Internationally renowned specialists provide authoritative introductions to a wide variety of fuel cell types, and discuss materials, components, and systems for these technologies. The entries also cover sustainability and marketing considerations, including comparisons of fuel cells with alternative technologies.

This volume gives a detailed account into how renewables can be transformed into value-added products via homogeneous catalysis, especially via transiton metal homogeneous catalysis. The most important catalytic reactions of oleochemicals, isoprenoids, carbohydrates, lignin, proteins and carbon dioxide are described. Special emphasis is placed on carbon-carbon linkage reactions (hydroformylations, dimerisations, telomerisations, metathesis, polymerisations etc.), hydrogenations, oxidations and other important homogeneous reactions (such as isomerisations, hydrosilylations etc.). Also, tandem reactions including isomerising hydroformylations are presented. Wherever possible, the authors have included mechanistic, kinetic, and technical aspects. The reader is therefore given a total overview of the status quo of homogeneous catalysis directed to the most important renewables.

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis. Current subject areas covered are Amino Acids, Peptides and Proteins, Carbohydrate Chemistry, Catalysis, Chemical Modelling. Applications and Theory, Electron Paramagnetic Resonance, Nuclear Magnetic Resonance, Organometallic Chemistry. Organophosphorus Chemistry, Photochemistry and Spectroscopic Properties of Inorganic and Organometallic Compounds. From time to time, the series has altered according to the fluctuating degrees of activity in the various fields, but these volumes remain a superb reference point for researchers.

Introduction and Overview (R.Z. Bachrach). Advances from a Technique Perspective: Absorption: Surface Absorption Near Edge Structure: XANES (A. Bianconi, A. Marcelli). Surface EXAFS (J.E. Rowe). Photoemission Spectroscopy: Angle Resolved Photoemission (W. Eberhardt). Surface Core Level Spectroscopy (A. Flodstrom et al.). Resonant Photoemission (J.W. Allen). Ion Spectroscopy: Photon Stimulated Desorption (V. Rehn, R.A. Rosenberg). Diffraction and Scattering: Grazing Incidence XRay Scattering (P.H. Fouss et al.). Photo and Auger Electron Diffraction (C.S. Fadley). Index.

Electrochemical processes are long known but are becoming increasingly important again, due to modern applications, such as electro-mobility or energy storage. Thus, electrochemistry is not only a topic for chemists and physicists, but also for technical engineers. This book addresses all aspects of electrochemistry, which are important in these days: electrodes, corrosion, interphases, processes, energy storage, analytical methods, and sensors.

This book is a new edition of a classic text on experimental methods and instruments in surface science. It offers practical insight useful to chemists, physicists, and materials scientists working in experimental surface science. This enlarged second edition contains almost 300 descriptions of experimental methods. The more than 50 active areas with individual scientific and measurement concepts and activities relevant to each area are presented in this book. The key areas covered are: Vacuum System Technology, Mechanical Fabrication Techniques, Measurement Methods, Thermal Control, Delivery of Adsorbates to Surfaces, UHV Windows, Surface Preparation Methods, High Area Solids, Safety. The book is written for researchers and graduate students.

This book reviews the current understanding of the mechanical, chemical and biological processes that are responsible for the degradation of a variety of implant materials. All 18 chapters will be written by internationally renowned experts to address both fundamental and practical aspects of research into the field. Different failure mechanisms such as corrosion, fatigue, and wear will be reviewed, together with experimental techniques for monitoring them, either in vitro or in vivo. Procedures for implant retrieval and analysis will be presented. A variety of biomaterials (stainless steels, titanium and its alloys, nitinol, magnesium alloys, polyethylene, biodegradable polymers, silicone gel, hydrogels, calcium phosphates) and medical devices (orthopedic and dental implants, stents, heart valves, breast implants) will be analyzed in detail. The book will serve as a broad reference source for graduate students and researchers studying biomedicine, corrosion, surface science, and electrochemistry.

Synthesis of Saturated Heterocycles via Metal-Catalyzed Alkene Carboamination or Carboalkoxylation Reactions, by John P. Wolfe Synthesis of Saturated Heterocycles via Metal-Catalyzed Alkene Diamination, Aminoalkoxylation, or Dialkoxylation Reactions, by Sherry R. Chemler Synthesis of Heterocycles via Metal-Catalyzed Wacker-Type Oxidative Cyclization Reactions of Alkoxy- or Amino-Alkenes, by Wanbin Zhang Synthesis of Saturated Heterocycles via Metal-Catalyzed Hydroamination or Hydroalkoxylation Reactions, by Lisa D. Julian Synthesis of Saturated Heterocycles via Metal-Catalyzed Allylic Alkylation Reactions, by Aaron Aponick Synthesis of Heterocycles via Metal-Catalyzed Cascade/Domino Reactions that Generate a C-N or C-O Bond, by Mark Lautens Synthesis of Saturated Heterocycles via Metal-Catalyzed Formal Cycloaddition Reactions that Generate a C-N or C-O Bond, by Jerome Waser

This book covers recent advances of the fragment molecular orbital (FMO) method, consisting of 5 parts and a total of 30 chapters written by FMO experts. The FMO method is a promising way to calculate large-scale molecular systems such as proteins in a quantum mechanical framework. The highly efficient parallelism deserves being considered the principal advantage of FMO calculations. Additionally, the FMO method can be employed as an analysis tool by using the inter-fragment (pairwise) interaction energies, among others, and this feature has been utilized well in biophysical and pharmaceutical chemistry. In recent years, the methodological developments of FMO have been remarkable, and both reliability and applicability have been enhanced, in particular, for non-bio problems. The current trend of the parallel computing facility is of the many-core type, and adaptation to modern computer environments has been explored as well. In this book, a historical review of FMO and comparison to other methods are provided in Part I (two chapters) and major FMO programs (GAMESS-US, ABINIT-MP, PAICS and OpenFMO) are described in Part II (four chapters). dedicated to pharmaceutical activities (twelve chapters). A variety of new applications with methodological breakthroughs are introduced in Part IV (six chapters). Finally, computer and information science-oriented topics including massively parallel computation and machine learning are addressed in Part V (six chapters). Many color figures and illustrations are included. Readers can refer to this book in its entirety as a practical textbook of the FMO method or read only the chapters of greatest interest to them.

Specialist Periodical Reports provide systematic and critical review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject, the series creates a unique service for the active research chemist with regular critical in-depth accounts of progress in particular areas of chemistry. Subject coverage of all volumes is very similar and publication is on an annual or biennial basis. There is an increasing challenge for chemical industry and research institutions to find cost-effective and environmentally sound methods of converting natural resources into fuels, chemicals and energy. Catalysts are essential to these processes and the Catalysis Specialist Periodical Report series serves to highlight major developments in this area. This series provides systematic and detailed reviews of topics of interest to scientists and engineers in the catalysis field. The coverage includes all major areas of heterogeneous and homogeneous catalysis as well as specific applications of catalysis such as NOx control, kinetics and experimental techniques such as microcalorimetry. Each chapter is compiled by recognised experts within their specialist fields, and provides a summary of the current literature. This series will be of interest to all those in academia and industry who need an up-to-date critical analysis and summary of catalysis research and applications. Volume 21 covers literature published during 2006.

The increase of greenhouse gases in the atmosphere and the decrease of the available amount of fossil fuels necessitate finding new alternative and sustainable energy sources in the near future. This book summarizes the role and the possibilities of catalysis in the production of new energy carriers and in the utilization of different energy sources. The main goal of this work is to go beyond those results discussed in recent literature by identifying new developments that may lead to breakthroughs in the production of alternative energy. The book discusses the use of biomass or biomass derived materials as energy sources, hydrogen formation in methanol and ethanol reforming, biodiesel production, and the utilization of biogases. Separate sections also deal with fuel cells, photocatalysis, and solar cells, which are all promising processes for energy production that depend heavily on catalysts.

This book provides the reader with the latest directions in the field of homogeneous catalysts for fine chemical production. Each theme is introduced from a broad perspective: materials, strategies, techniques and processes are presented both from a theoretical and a practical point of view. The focus is on those catalysts - particularly heterogenized homogeneous catalysts - and applications leading to the production of fine and speciality chemicals in a highly selective manner and with minimal environmental and economic impact. Each topic is treated critically so topics such as factors affecting the catalysts performance, the influence of the support, the catalysts' deactivation, the metal leaching or the issues on recycling are analyzed. Industrial and academic points of view are integrated and the feasibility and timeliness of industrial applications are illustrated. The reader is also provided with a comparison between parent heterogeneous and homogeneous systems. Content Level Research

In this thesis, Till Cremer investigates the bulk properties of ionic liquids (IL), the IL/vacuum interface and the IL/solid interface. For these studies the author primarily uses angle-resolved X-ray photoelectron spectroscopy under ultrahigh vacuum conditions. ILs represent a class of materials with unique physico-chemical properties. Many applications take advantage of the extremely low vapor pressure of aprotic ILs to fabricate permanent, non-volatile liquid coatings on solid materials. The author focuses on issues related to thin IL coatings, in particular concerning new catalytic concepts such as the supported ionic liquid phase (SILP) and solid catalyst with ionic liquid layer (SCILL) systems. Till Cremer presents a number of fundamental contributions to the new field of "Ionic Liquid Surface and Interface Science". Highlights are his results concerning anion/cation-interactions and the growth of ultrathin layers of ionic liquids on various substrates in the context of supported ionic liquid catalysis. His results have significantly contributed to the present level of understanding in the field and accordingly he is author and coauthor of ten publications on the topic in high-ranked journals.

This book introduces recent progress in stimuli-responsive interfaces constructed on colloidal materials such as micelles and vesicles and on solid material surfaces. There is discussion of the effect of stimuli such as light, heat, pH, and electric field on changes in the morphology of the molecules at the interfaces and that of colloidal materials. The changes in the properties, such as gelation ability, dispersibility, and emulsification ability, of the resultant bulk materials containing these colloidal materials or those of the solid material are also covered. In addition, design criteria for high sensitivity, quick responsiveness, and high reversibility are presented. In each author's original system, the correlations between molecular-level responses and bulk functional responses are described as well. This book serves as an excellent guide to designing and fabricating novel, functional, eco-friendly stimuli-responsive interfaces and related materials.

This book describes medical applications of photochemistry. In the first part, a general introduction to photochemistry and related phototechnologies is provided. In the second part, photochemistry-based medical applications for diagnostics (biochips and bioimaging) and therapeutics (biomaterials for artificial organs, medical adhesives, dental materials, drug-delivery systems, tissue engineering, and photodynamic therapy) are described, with examples of recent research. The year 2015 is the International Year of Light and Light-Based Technologies. Light plays a vital role in our daily lives and is important in many interdisciplinary scientific fields in the twenty-first century. Light-based concepts have revolutionized medicine, including areas such as oncology, molecular biology, and surgery. Although photochemistry has contributed significantly to medicine directly and through photochemical fabrication of biomaterials, a book giving a comprehensive overview of recent progress has not been published until now. The aim of this book is to highlight the contributions of photochemistry in interdisciplinary fields of chemistry and medical engineering. This book will be useful for chemists who are interested in medical applications of photochemistry and engineers who are eager to learn the principles of photochemistry to enable its use in practical applications.

Lucas Montero de Espinosa and Michael A. R. Meier: Olefin Metathesis of Renewable Platform Chemicals.- Pieter C. A. Bruijnincx, Robin Jastrzebski, Peter J. C. Hausoul, Robertus J. M. Klein Gebbink, and Bert M. Weckhuysen: Pd-Catalysed Telomerisation of 1,3-Dienes with Multifunctional Renewable Substrates - Versatile Routes for the Valorisation of Biomass-Derived Platform Molecules.- A Behr, A. J. Vorholt: Hydroformylation and related reactions of renewable resources.- Ties J. Korstanje, Robertus J.M. Klein Gebbink: Catalytic oxidation and deoxygenation of renewables with rhenium complexes.- Antoine Buchard, Clare M. Bakewell, Jonathan Weiner and Charlotte K. Williams: Recent Developments In Catalytic Activation Of Renewable Resources For Polymer Synthesis.

In this thesis, real-time evolution of the nanopore channel growth and self-ordering process in anodic nanoporous alumina are simulated on the basis of an established kinetics model. The simulation results were in accordance with the experiments on the (i) growth sustainability of pore channels guided by pre-patterns; and (ii) substrate grain orientation dependence on self-ordering. In addition, a new fabrication method for the rapid synthesis of highly self-ordered nanoporous alumina is established, based on a systematic search for the self-ordering conditions in experiments. Lastly, it reports on a novel surface-charge induced strain in nanoporous alumina-aluminium foils, which indicates that nanoporous alumina can be used as a new type of actuating material in micro-actuator applications.

This book deals with the basic principles and techniques of nonequilibrium statistical mechanics. The importance of this subject is growing rapidly in view of the advances being made, both experimentally and theoretically, in statistical physics, chemical physics, biological physics, complex systems and several other areas. The presentation of topics is quite self-contained, and the choice of topics enables the student to form a coherent picture of the subject. The approach is unique in that classical mechanical formulation takes center stage. The book is of particular interest to advanced undergraduate and graduate students in engineering departments.

Electrocatalysts are the heart of power devices where electricity is produced via conversion of chemical into electrical energy. - pressive advances in surface science techniques and in first pr- ciples computational design are providing new avenues for signi- cant improvement of the overall efficiencies of such power dev- es, especially because of an increase in the understanding of el- trocatalytic materials and processes. For example, the devel- ment of high resolution instrumentation including various electron and ion-scattering and in-situ synchrotron spectroscopies, elect- chemical scanning tunneling microscopy, and a plethora of new developments in analytical chemistry and electrochemical te- niques, permits the detailed characterization of atomic distribution, before, during, and after a reaction takes place, giving unpre- dented information about the status of the catalyst during the re- tion, and most importantly the time evolution of the exposed ca- lytic surfaces at the atomistic level. These techniques are c- plemented by the use of ab initio methods which do not require input from experimental information, and are based on numerical solutions of the time-independent Schrodinger equation including electron-electron and electron-atom interactions. These fir- principles computational methods have reached a degree of - turity such that their use to provide guidelines for interpretation of experiments and for materials design has become a routine practice in academic and industrial communities.

Describes the relations between reactions in chemical and biochemical systems with special emphasis to high selective oxidation reactions by hydrogen peroxide.

Outlines possible ways for the application of these reactions in an industrial scale.
* Looking at new approaches to the synthesis and research of catalytic organic reactions by hydrogen peroxide
* Discussing the important developments in the area of biomimetic catalysis
* Covering biomimetic sensors, the new generation of analytical devices and their applications

Polyatomic Ion Dissociative Recombination; D.R. Bates. Recent Developments and Perspectives in the Treatment of Dissociative Recombination and Related Processes; A. Guisti-Suzor, et al. Electron-Ion Continuum-Continuum Mixing in Dissociative Recombination; S.L. Guberman. Recent Merged Beam Investigations of Hydrogen Molecular Ion Recombination; J.B.A. Mitchell, et al. Recent Flowing Afterglow Measurements; B.R. Rowe. Recombination of Cluster Ions; R. Johnsen. Associative Ionization of Hydrogen; F. Brouillard, X. Urbain. Resonant Theory of Dissociative Attachment; I.I. Fabrikant. Dissociative Recombination in Planetary Ionospheres; J.L. Fox. Chemistry of Supernova 1987a; A. Dalgarno. Factoring Sequences of Dynamic Processes in a Single Collision; F.H. Mies. Dissociative Electron Attachment to TransitionMetal Hydrides; T.M. Miller, et al. Electron Impact Dissociative Excitation of Molecular Ions; A.E. Orel. 17 additional articles. Index.

The quantum and relativity theories of physics are considered to underpin all of science in an absolute sense. This monograph argues against this proposition primarily on the basis of the two theories' incompatibility and of some untenable philosophical implications of the quantum model. Elementary matter is assumed in both theories to occur as zero-dimensional point particles. In relativity theory this requires the space-like region of the underlying Minkowski space-time to be rejected as unphysical, despite its precise mathematical characterization. In quantum theory it leads to an incomprehensible interpretation of the wave nature of matter in terms of a probability function and the equally obscure concept of wave-particle duality. The most worrisome aspect about quantum mechanics as a theory of chemistry is its total inability, despite unsubstantiated claims to the contrary, to account for the fundamental concepts of electron spin, molecular structure, and the periodic table of the elements. A remedy of all these defects by reformulation of both theories as nonlinear wave models in four-dimensional space-time is described.