Theoretical Aspects of Heterogeneous Catalysis

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Publisher : Springer Science & Business Media
ISBN 13 : 9401098824
Total Pages : 548 pages
Book Rating : 4.4/5 (1 download)

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Book Synopsis Theoretical Aspects of Heterogeneous Catalysis by : John B. Moffat

Download or read book Theoretical Aspects of Heterogeneous Catalysis written by John B. Moffat and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis involves just about every field of scientific study. This means that a multidisciplinary approach is needed in catalytic studies. Catalysis involves breaking and forming new bonds and this requires an under standing of either adsorption by bonding to an extended structures or bonding in a coordination sphere. Any understanding of catalytic action must necessarily involve an understanding of this bonding. Even 200 years ago scientists were aware that a properly treated mate rial, such as charcoal, could adsorb an enormous quantity of gas. In 1812, de Sassasure (English translation, Annal Philosphy, 6, 241 (1815» pro posed that the ability of a material to increase the rate of chemical reac tion was due to adsorption of the material in the fine structure of the solid so that the concentrations of the reactants were significantly increased, and this increase in concentration led to an increase in reaction rate. During the 1800s, little advance was made in the understanding of adsorp tion.

Theoretical Aspects of Heterogeneous Catalysis

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Publisher : Springer Science & Business Media
ISBN 13 : 0306476673
Total Pages : 262 pages
Book Rating : 4.3/5 (64 download)

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Book Synopsis Theoretical Aspects of Heterogeneous Catalysis by : M.A. Nascimento

Download or read book Theoretical Aspects of Heterogeneous Catalysis written by M.A. Nascimento and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterogeneous catalysis is a fascinating and complex subject of utmost importance in the present day. Its immense technological and economical importance and the inherent complexity of the catalytic phenomena have stimulated theoretical and experimental studies by a broad spectrum of scientists, including chemists, physicists, chemical engineers, and material scientists. Computational and theoretical techniques are now having a major impact in this field. This book aims to illustrate and discuss the subject of heterogeneous catalysis and to show the current capabilities of the theoretical and computational methods for studying the various steps (diffusion, adsorption, chemical reaction) of heterogeneous catalytic process involving zeolites, metal oxides, and transition metal surfaces. The book covers: the use of techniques of computational chemistry to simulate zeolites, metallic and bimetallic surfaces, and oxide-supported metals; the impact of simulation methods on the understanding of the diffusion and adsorption of molecules and cations within the pores of zeolites, and also on the adsorption of molecules on metal and metal-oxide surfaces; and the applications of quantum-mechanical methods to the study of the reaction mechanism and pathways of the adsorbed molecules. This book is recommended primarily to scientists and graduate students conducting research in the fields of heterogeneous catalysis and surface science. It will also be valuable to advanced undergraduate students wishing to become acquainted with the latest developments in these exciting fields of research, and to experimentalists seeking theoretical support for interpreting their results.

Fundamental Aspects of Heterogeneous Catalysis Studied by Particle Beams

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Publisher : Springer Science & Business Media
ISBN 13 : 1468459643
Total Pages : 451 pages
Book Rating : 4.4/5 (684 download)

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Book Synopsis Fundamental Aspects of Heterogeneous Catalysis Studied by Particle Beams by : H.H. Brongersma

Download or read book Fundamental Aspects of Heterogeneous Catalysis Studied by Particle Beams written by H.H. Brongersma and published by Springer Science & Business Media. This book was released on 2013-03-08 with total page 451 pages. Available in PDF, EPUB and Kindle. Book excerpt: Present day heterogeneous catalysis is rapidly being transformed from a technical art into a science-based technology. A major contribution to this important change is the advance of surface spectroscopic techniques able to characterize the complex surfaces of the heterogeneous catalytic system. The Advanced Study Institute (on which the current proceedings is based) has as its primary aim the bringing together of a variety of lecturers, outstanding in those fields of experience, to enable a broad coverage of different relevant approaches. Not only catalyst characterization but also catalytic reactivity had to be covered in order to relate catalyst properties with catalyst performance. Since modern catalysis relates catalytic performance to microscopic molecular catalyst features, theoretical electronic aspects also had to be included. The Advanced Study Institute had a unique feature in that it brought together physicists, catalytic chemists and chemical engineers whom rarely directly interact. From physics especially new experimental possibilities of beams were emphasized. At present it is possible to obtain very detailed information on model catalysts, whilst the applications to practical catalysts are gaining rapidly in sophistication. Apart from the plenary lectures, the Institute included "hot topics" to highlight special developments and offered participants the opportunity to present contributed papers (either orally or as a poster). These contributions formed an integral part of the summer school and significantly enhanced the interaction between participants. Inclusion of the hot topics and contributed papers in these proceedings give them an added topical value.

Fundamental Concepts in Heterogeneous Catalysis

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Publisher : John Wiley & Sons
ISBN 13 : 1118888952
Total Pages : 228 pages
Book Rating : 4.1/5 (188 download)

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Book Synopsis Fundamental Concepts in Heterogeneous Catalysis by : Jens K. Nørskov

Download or read book Fundamental Concepts in Heterogeneous Catalysis written by Jens K. Nørskov and published by John Wiley & Sons. This book was released on 2014-10-27 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is based on a graduate course and suitable as a primer for any newcomer to the field, this book is a detailed introduction to the experimental and computational methods that are used to study how solid surfaces act as catalysts. Features include: First comprehensive description of modern theory of heterogeneous catalysis Basis for understanding and designing experiments in the field Allows reader to understand catalyst design principles Introduction to important elements of energy transformation technology Test driven at Stanford University over several semesters

Theoretical Heterogeneous Catalysis

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Publisher : World Scientific
ISBN 13 : 9789810203856
Total Pages : 412 pages
Book Rating : 4.2/5 (38 download)

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Book Synopsis Theoretical Heterogeneous Catalysis by : Rutger A. Santen

Download or read book Theoretical Heterogeneous Catalysis written by Rutger A. Santen and published by World Scientific. This book was released on 1991 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: The molecular basis of surface chemical reactivity forms the central theme of this book. It is an attempt to survey current understanding about the working of heterogeneous catalysts, emphasizing surface chemical bonding in relation to reaction mechanisms.

Heterogeneous Catalysts

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Publisher : John Wiley & Sons
ISBN 13 : 352781356X
Total Pages : 768 pages
Book Rating : 4.5/5 (278 download)

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Book Synopsis Heterogeneous Catalysts by : Wey Yang Teoh

Download or read book Heterogeneous Catalysts written by Wey Yang Teoh and published by John Wiley & Sons. This book was released on 2021-02-23 with total page 768 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presents state-of-the-art knowledge of heterogeneous catalysts including new applications in energy and environmental fields This book focuses on emerging techniques in heterogeneous catalysis, from new methodology for catalysts design and synthesis, surface studies and operando spectroscopies, ab initio techniques, to critical catalytic systems as relevant to energy and the environment. It provides the vision of addressing the foreseeable knowledge gap unfilled by classical knowledge in the field. Heterogeneous Catalysts: Advanced Design, Characterization and Applications begins with an overview on the evolution in catalysts synthesis and introduces readers to facets engineering on catalysts; electrochemical synthesis of nanostructured catalytic thin films; and bandgap engineering of semiconductor photocatalysts. Next, it examines how we are gaining a more precise understanding of catalytic events and materials under working conditions. It covers bridging pressure gap in surface catalytic studies; tomography in catalysts design; and resolving catalyst performance at nanoscale via fluorescence microscopy. Quantum approaches to predicting molecular reactions on catalytic surfaces follows that, along with chapters on Density Functional Theory in heterogeneous catalysis; first principles simulation of electrified interfaces in electrochemistry; and high-throughput computational design of novel catalytic materials. The book also discusses embracing the energy and environmental challenges of the 21st century through heterogeneous catalysis and much more. Presents recent developments in heterogeneous catalysis with emphasis on new fundamentals and emerging techniques Offers a comprehensive look at the important aspects of heterogeneous catalysis Provides an applications-oriented, bottoms-up approach to a high-interest subject that plays a vital role in industry and is widely applied in areas related to energy and environment Heterogeneous Catalysts: Advanced Design, Characterization and Applications is an important book for catalytic chemists, materials scientists, surface chemists, physical chemists, inorganic chemists, chemical engineers, and other professionals working in the chemical industry.

Theoretical Aspects of Homogeneous Catalysis

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Publisher : Springer Science & Business Media
ISBN 13 : 9401104751
Total Pages : 219 pages
Book Rating : 4.4/5 (11 download)

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Book Synopsis Theoretical Aspects of Homogeneous Catalysis by : Piet W.N.M. van Leeuwen

Download or read book Theoretical Aspects of Homogeneous Catalysis written by Piet W.N.M. van Leeuwen and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 219 pages. Available in PDF, EPUB and Kindle. Book excerpt: This publication is the first to present the quantitative application of quantum chemistry to organometallic reactions. Great progress has been made in recent years in the calculation of transition states of organometallic conversions in both homo and heterogeneous catalysis. This volume, which contains seven contributions by leading scientists, deals with key reactions of homogeneous catalysis including oxidative addition, migratory insertions, 2+2 additions, the Wacker reaction, and epoxidation. The book provides experimental chemists with an up-to-date overview of the state of the art in this field, and will stimulate an adjustment of views previously based on semiempirical calculations. For researchers and advanced graduate students whose work involves organometallics and catalysis.

Proceedings of the 6th International Confernece on Theoretical Aspects of Heterogeneous Catalysis

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Publisher :
ISBN 13 :
Total Pages : 468 pages
Book Rating : 4.:/5 (14 download)

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Book Synopsis Proceedings of the 6th International Confernece on Theoretical Aspects of Heterogeneous Catalysis by : F. Illas

Download or read book Proceedings of the 6th International Confernece on Theoretical Aspects of Heterogeneous Catalysis written by F. Illas and published by . This book was released on 1997 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Principles and Practice of Heterogeneous Catalysis

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Publisher : John Wiley & Sons
ISBN 13 : 352731458X
Total Pages : 768 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Principles and Practice of Heterogeneous Catalysis by : John Meurig Thomas

Download or read book Principles and Practice of Heterogeneous Catalysis written by John Meurig Thomas and published by John Wiley & Sons. This book was released on 2015-02-09 with total page 768 pages. Available in PDF, EPUB and Kindle. Book excerpt: This long-awaited second edition of the successful introduction to the fundamentals of heterogeneous catalysis is now completely revised and updated. Written by internationally acclaimed experts, this textbook includes fundamentals of adsorption, characterizing catalysts and their surfaces, the significance of pore structure and surface area, solid-state and surface chemistry, poisoning, promotion, deactivation and selectivity of catalysts, as well as catalytic process engineering. A final section provides a number of examples and case histories. With its color and numerous graphics plus references to help readers to easily find further reading, this is a pivotal work for an understanding of the principles involved.

Fundamental Concepts in Heterogeneous Catalysis

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Publisher : John Wiley & Sons
ISBN 13 : 111889202X
Total Pages : 228 pages
Book Rating : 4.1/5 (188 download)

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Book Synopsis Fundamental Concepts in Heterogeneous Catalysis by : Jens K. Nørskov

Download or read book Fundamental Concepts in Heterogeneous Catalysis written by Jens K. Nørskov and published by John Wiley & Sons. This book was released on 2014-08-25 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is based on a graduate course and suitable as a primer for any newcomer to the field, this book is a detailed introduction to the experimental and computational methods that are used to study how solid surfaces act as catalysts. Features include: First comprehensive description of modern theory of heterogeneous catalysis Basis for understanding and designing experiments in the field Allows reader to understand catalyst design principles Introduction to important elements of energy transformation technology Test driven at Stanford University over several semesters

Heterogeneous Catalysis at Nanoscale for Energy Applications

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Publisher : John Wiley & Sons
ISBN 13 : 1118843487
Total Pages : 344 pages
Book Rating : 4.1/5 (188 download)

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Book Synopsis Heterogeneous Catalysis at Nanoscale for Energy Applications by : Franklin (Feng) Tao

Download or read book Heterogeneous Catalysis at Nanoscale for Energy Applications written by Franklin (Feng) Tao and published by John Wiley & Sons. This book was released on 2015-02-17 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents both the fundamentals concepts and latestachievements of a field that is growing in importance since itrepresents a possible solution for global energy problems. It focuses on an atomic-level understanding ofheterogeneous catalysis involved in important energy conversionprocesses. It presents a concise picture for the entire areaof heterogeneous catalysis with vision at the atomic- and nano-scales, from synthesis, ex-situ and in-situ characterization,catalytic activity and selectivity, to mechanistic understandingbased on experimental exploration and theoretical simulation. The book: Addresses heterogeneous catalysis, one of the crucialtechnologies employed within the chemical and energyindustries Presents the recent advances in the synthesis andcharacterization of nanocatalysts as well as a mechanisticunderstanding of catalysis at atomic level for important processesof energy conversion Provides a foundation for the potential design ofrevolutionarily new technical catalysts and thus the furtherdevelopment of efficient technologies for the global energyeconomy Includes both theoretical studies and experimentalexploration Is useful as both a textbook for graduate and undergraduatestudents and a reference book for scientists and engineers inchemistry, materials science, and chemical engineering

The Physical Basis for Heterogeneous Catalysis

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Publisher : Springer Science & Business Media
ISBN 13 : 146158759X
Total Pages : 604 pages
Book Rating : 4.4/5 (615 download)

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Book Synopsis The Physical Basis for Heterogeneous Catalysis by : Edmund Drauglis

Download or read book The Physical Basis for Heterogeneous Catalysis written by Edmund Drauglis and published by Springer Science & Business Media. This book was released on 2013-11-21 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt: THE PHYSICAL BASIS FOR HETEROGENEOUS CATALYSIS is the proceedings of the ninth Battelle Colloquium in the Materials Sciences, held in Gstaad, Switzerland, September 2-6, 1974. It took as its theme the application of modern theoretical and experimental surface physics to heterogeneous catalysis. Progress in the field by classical chemical methods seemed to have slowed down, at a time when the need for better catalysts was particularly great. The Organizing Committee thought it might be possible to accelerate progress by the application of the powerful techniques evolved in recent years for studying atomically clean surfaces. However, the translation of ideas derived from clean single crystal surfaces with well characterized chemisorbed layers to real catalysts with high ratios of surface to mass on which reactions were taking place and requiring transport of mass and energy is a giant step, raising many questions and requiring thorough discussion by surface physicists on the one hand and catalytic chemists on the other. The 1974 Battelle Colloquium provided a forum for this exchange. As its usual custom, the Colloquium started the first day of introduc tory lectures by three distinguished scientists who have contributed impor tantly over many years to this field.

Molecular Heterogeneous Catalysis

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Publisher : John Wiley & Sons
ISBN 13 : 3527608346
Total Pages : 488 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Molecular Heterogeneous Catalysis by : Rutger A. van Santen

Download or read book Molecular Heterogeneous Catalysis written by Rutger A. van Santen and published by John Wiley & Sons. This book was released on 2009-06-10 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: An integrated approach to the molecular theory of reaction mechanism in heterogeneous catalysis, largely based on the knowledge among the growing theoretical catalysis community over the past half century, and covering all major catalytic systems. The authors develop a general conceptual framework, including in-depth comparisons with enzyme catalysis, biomineralisation, organometallic and coordination chemistry. A chapter dedicated to molecular electrocatalysis addresses the molecular description of reactions at the liquid-solid interphase, while studies range from a quantum-chemical treatment of individual molecular states to dynamic Monte-Carlo simulations, including the full flexibility of the many-particle systems. Complexity in catalysis is explained in chapters on self-organization and self-assembly of catalysts, and other sections are devoted to evolutionary, combinatorial techniques as well as artificial chemistry.

Modern Heterogeneous Catalysis

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Publisher : John Wiley & Sons
ISBN 13 : 3527694501
Total Pages : 809 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Modern Heterogeneous Catalysis by : Rutger A. van Santen

Download or read book Modern Heterogeneous Catalysis written by Rutger A. van Santen and published by John Wiley & Sons. This book was released on 2017-02-15 with total page 809 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by one of the world's leading experts on the topic, this advanced textbook is the perfect introduction for newcomers to this exciting field. Concise and clear, the text focuses on such key aspects as kinetics, reaction mechanism and surface reactivity, concentrating on the essentials. The author also covers various catalytic systems, catalysis by design, and activation-deactivation. A website with supplementary material offers additional figures, original material and references.

Proceedings of the 6th International Conference on Theoretical Aspects of Heterogeneous Catalysis

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Publisher :
ISBN 13 :
Total Pages : 468 pages
Book Rating : 4.:/5 (258 download)

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Book Synopsis Proceedings of the 6th International Conference on Theoretical Aspects of Heterogeneous Catalysis by : Francesc Illas

Download or read book Proceedings of the 6th International Conference on Theoretical Aspects of Heterogeneous Catalysis written by Francesc Illas and published by . This book was released on 1997 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Modeling and Simulation of Heterogeneous Catalytic Reactions

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Publisher : John Wiley & Sons
ISBN 13 : 3527639888
Total Pages : 364 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Modeling and Simulation of Heterogeneous Catalytic Reactions by : Olaf Deutschmann

Download or read book Modeling and Simulation of Heterogeneous Catalytic Reactions written by Olaf Deutschmann and published by John Wiley & Sons. This book was released on 2013-09-18 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Nobel Prize in Chemistry 2007 awarded to Gerhard Ertl for his groundbreaking studies in surface chemistry highlighted the importance of heterogeneous catalysis not only for modern chemical industry but also for environmental protection. Heterogeneous catalysis is seen as one of the key technologies which could solve the challenges associated with the increasing diversification of raw materials and energy sources. It is the decisive step in most chemical industry processes, a major method of reducing pollutant emissions from mobile sources and is present in fuel cells to produce electricity. The increasing power of computers over the last decades has led to modeling and numerical simulation becoming valuable tools in heterogeneous catalysis. This book covers many aspects, from the state-of-the-art in modeling and simulations of heterogeneous catalytic reactions on a molecular level to heterogeneous catalytic reactions from an engineering perspective. This first book on the topic conveys expert knowledge from surface science to both chemists and engineers interested in heterogeneous catalysis. The well-known and international authors comprehensively present many aspects of the wide bridge between surface science and catalytic technologies, including DFT calculations, reaction dynamics on surfaces, Monte Carlo simulations, heterogeneous reaction rates, reactions in porous media, electro-catalytic reactions, technical reactors, and perspectives of chemical and automobile industry on modeling heterogeneous catalysis. The result is a one-stop reference for theoretical and physical chemists, catalysis researchers, materials scientists, chemical engineers, and chemists in industry who would like to broaden their horizon and get a substantial overview on the different aspects of modeling and simulation of heterogeneous catalytic reactions.

Chemical Bonding at Surfaces and Interfaces

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Publisher : Elsevier
ISBN 13 : 0080551912
Total Pages : 533 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Chemical Bonding at Surfaces and Interfaces by : Anders Nilsson

Download or read book Chemical Bonding at Surfaces and Interfaces written by Anders Nilsson and published by Elsevier. This book was released on 2011-08-11 with total page 533 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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