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Author : Vladimir A. Basiuk
Publisher :
ISBN 13 : 9781588831385
Total Pages : 447 pages
Book Rating : 4.8/5 (313 download)
Download or read book Quantum Chemical Calculations of Surfaces and Interfaces of Materials written by Vladimir A. Basiuk and published by . This book was released on 2009 with total page 447 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Hari Singh Nalwa
Publisher :
ISBN 13 : 9780125139113
Total Pages : 728 pages
Book Rating : 4.1/5 (391 download)
Download or read book Handbook of Surfaces and Interfaces of Materials: Surface and interface phenomena written by Hari Singh Nalwa and published by . This book was released on 2001 with total page 728 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook brings together, under a single cover, all aspects of the chemistry, physics, and engineering of surfaces and interfaces of materials currently studied in academic and industrial research. It covers different experimental and theoretical aspects of surfaces and interfaces, their physical properties, and spectroscopic techniques that have been applied to a wide class of inorganic, organic, polymer, and biological materials. The diversified technological areas of surface science reflect the explosion of scientific information on surfaces and interfaces of materials and their spectroscopic characterization. The large volume of experimental data on chemistry, physics, and engineering aspects of materials surfaces and interfaces remains scattered in so many different periodicals, therefore this handbook compilation is needed. The information presented in this multivolume reference draws on two decades of pioneering research on the surfaces and interfaces of materials to offer a complete perspective on the topic. These five volumes-Surface and Interface Phenomena; Surface Characterization and Properties; Nanostructures, Micelles, and Colloids; Thin Films and Layers; Biointerfaces and Applications-provide multidisciplinary review chapters and summarize the current status of the field covering important scientific and technological developments made over past decades in surfaces and interfaces of materials and spectroscopic techniques with contributions from internationally recognized experts from all over the world. Fully cross-referenced, this book has clear, precise, and wide appeal as an essential reference source long due for the scientific community. The complete reference on the topic of surfaces and interfaces of materials The information presented in this multivolume reference draws on two decades of pioneering research Provides multidisciplinary review chapters and summarizes the current status of the field Covers important scientific and technological developments made over past decades in surfaces and interfaces of materials and spectroscopic techniques Contributions from internationally recognized experts from all over the world.
Author : Mario Rocca
Publisher : Springer Nature
ISBN 13 : 3030469069
Total Pages : 1273 pages
Book Rating : 4.0/5 (34 download)
Download or read book Springer Handbook of Surface Science written by Mario Rocca and published by Springer Nature. This book was released on 2021-01-14 with total page 1273 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook delivers an up-to-date, comprehensive and authoritative coverage of the broad field of surface science, encompassing a range of important materials such metals, semiconductors, insulators, ultrathin films and supported nanoobjects. Over 100 experts from all branches of experiment and theory review in 39 chapters all major aspects of solid-state surfaces, from basic principles to applications, including the latest, ground-breaking research results. Beginning with the fundamental background of kinetics and thermodynamics at surfaces, the handbook leads the reader through the basics of crystallographic structures and electronic properties, to the advanced topics at the forefront of current research. These include but are not limited to novel applications in nanoelectronics, nanomechanical devices, plasmonics, carbon films, catalysis, and biology. The handbook is an ideal reference guide and instructional aid for a wide range of physicists, chemists, materials scientists and engineers active throughout academic and industrial research.
Author : Hari Singh Nalwa
Publisher : Elsevier
ISBN 13 : 0080533825
Total Pages : 1915 pages
Book Rating : 4.0/5 (85 download)
Download or read book Handbook of Surfaces and Interfaces of Materials, Five-Volume Set written by Hari Singh Nalwa and published by Elsevier. This book was released on 2001-10-26 with total page 1915 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook brings together, under a single cover, all aspects of the chemistry, physics, and engineering of surfaces and interfaces of materials currently studied in academic and industrial research. It covers different experimental and theoretical aspects of surfaces and interfaces, their physical properties, and spectroscopic techniques that have been applied to a wide class of inorganic, organic, polymer, and biological materials. The diversified technological areas of surface science reflect the explosion of scientific information on surfaces and interfaces of materials and their spectroscopic characterization. The large volume of experimental data on chemistry, physics, and engineering aspects of materials surfaces and interfaces remains scattered in so many different periodicals, therefore this handbook compilation is needed.The information presented in this multivolume reference draws on two decades of pioneering research on the surfaces and interfaces of materials to offer a complete perspective on the topic. These five volumes-Surface and Interface Phenomena; Surface Characterization and Properties; Nanostructures, Micelles, and Colloids; Thin Films and Layers; Biointerfaces and Applications-provide multidisciplinary review chapters and summarize the current status of the field covering important scientific and technological developments made over past decades in surfaces and interfaces of materials and spectroscopic techniques with contributions from internationally recognized experts from all over the world. Fully cross-referenced, this book has clear, precise, and wide appeal as an essential reference source long due for the scientific community. The complete reference on the topic of surfaces and interfaces of materialsThe information presented in this multivolume reference draws on two decades of pioneering researchProvides multidisciplinary review chapters and summarizes the current status of the fieldCovers important scientific and technological developments made over past decades in surfaces and interfaces of materials and spectroscopic techniquesContributions from internationally recognized experts from all over the world
Author : Anders Nilsson
Publisher : Elsevier
ISBN 13 : 9780080551913
Total Pages : 532 pages
Book Rating : 4.5/5 (519 download)
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 532 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
Author : Christopher D. Taylor
Publisher : John Wiley & Sons
ISBN 13 : 1118266153
Total Pages : 276 pages
Book Rating : 4.1/5 (182 download)
Download or read book Molecular Modeling of Corrosion Processes written by Christopher D. Taylor and published by John Wiley & Sons. This book was released on 2015-04-27 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presents opportunities for making significant improvements in preventing harmful effects that can be caused by corrosion Describes concepts of molecular modeling in the context of materials corrosion Includes recent examples of applications of molecular modeling to corrosion phenomena throughout the text Details how molecular modeling can give insights into the multitude of interconnected and complex processes that comprise the corrosion of metals Covered applications include diffusion and electron transfer at metal/electrolyte interfaces, Monte Carlo simulations of corrosion, corrosion inhibition, interrogating surface chemistry, and properties of passive films Presents current challenges and likely developments in this field for the future
Author : Harald Ibach
Publisher : Springer Science & Business Media
ISBN 13 : 3540347100
Total Pages : 646 pages
Book Rating : 4.5/5 (43 download)
Download or read book Physics of Surfaces and Interfaces written by Harald Ibach and published by Springer Science & Business Media. This book was released on 2006-11-18 with total page 646 pages. Available in PDF, EPUB and Kindle. Book excerpt: This graduate-level textbook covers the major developments in surface sciences of recent decades, from experimental tricks and basic techniques to the latest experimental methods and theoretical understanding. It is unique in its attempt to treat the physics of surfaces, thin films and interfaces, surface chemistry, thermodynamics, statistical physics and the physics of the solid/electrolyte interface in an integral manner, rather than in separate compartments. It is designed as a handbook for the researcher as well as a study-text for graduate students. Written explanations are supported by 350 graphs and illustrations.
Author : Hari Singh Nalwa
Publisher :
ISBN 13 :
Total Pages : 622 pages
Book Rating : 4.3/5 (91 download)
Download or read book Handbook of Surfaces and Interfaces of Materials: Surface and interface analysis and properties written by Hari Singh Nalwa and published by . This book was released on 2001 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : S. Langhoff
Publisher : Springer Science & Business Media
ISBN 13 : 9401101930
Total Pages : 451 pages
Book Rating : 4.4/5 (11 download)
Download or read book Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy written by S. Langhoff and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 451 pages. Available in PDF, EPUB and Kindle. Book excerpt: The principal focus of this volume is to illustrate the level of accuracy currently achievable by ab initio quantum chemical calculations. While new developments in theory are discussed to some extent, the major emphasis is on a comparison of calculated properties with experiment. This focus is similar to the one taken in a book, Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules, edited by Rodney Bartlett (Reidel, 1984). However, the phenomenal improvement in both theoretical methods and computer architecture have made it possible to obtain accurate results for rather large molecular systems. This is perhaps best illustrated in this volume by the chapter entitled `Spectroscopy of Large Organic Molecules' by Bjorn Roos and coworkers. For example, the electronic spectra of the nucleic acid base monomer structures shown on the front cover have been obtained using a fully correlated ab initio study. For researchers, teachers and students in chemistry and physics.
Author : David S. Sholl
Publisher : John Wiley & Sons
ISBN 13 : 1118211049
Total Pages : 252 pages
Book Rating : 4.1/5 (182 download)
Download or read book Density Functional Theory written by David S. Sholl and published by John Wiley & Sons. This book was released on 2011-09-20 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.
Author : C.B. Duke
Publisher : Gulf Professional Publishing
ISBN 13 : 9780444510419
Total Pages : 1076 pages
Book Rating : 4.5/5 (14 download)
Download or read book Frontiers in Surface Science and Interface Science written by C.B. Duke and published by Gulf Professional Publishing. This book was released on 2002-05-21 with total page 1076 pages. Available in PDF, EPUB and Kindle. Book excerpt: Any notion that surface science is all about semiconductors and coatings is laid to rest by this encyclopedic publication: Bioengineered interfaces in medicine, interstellar dust, DNA computation, conducting polymers, the surfaces of atomic nuclei - all are brought up to date. Frontiers in Surface and Interface Science - a milestone publication deserving a wide readership. It combines a sweeping expert survey of research today with an educated look into the future. It is a future that embraces surface phenomena on scales from the subatomic to the galactic, as well as traditional topics like semiconductor design, catalysis, and surface processing, modeling and characterization. And, great efforts have been made to express sophisticated ideas in an attractive and accessible way. Nanotechnology, surfaces for DNA computation, polymer-based electronics, soft surfaces, interstellar surface chemistry - all feature in this comprehensive collection.
Author : Georges Hadziioannou
Publisher : John Wiley & Sons
ISBN 13 : 3527312714
Total Pages : 786 pages
Book Rating : 4.5/5 (273 download)
Download or read book Semiconducting Polymers written by Georges Hadziioannou and published by John Wiley & Sons. This book was released on 2006-12-15 with total page 786 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of semiconducting polymers has attracted many researchers from a diversity of disciplines. Printed circuitry, flexible electronics and displays are already migrating from laboratory successes to commercial applications, but even now fundamental knowledge is deficient concerning some of the basic phenomena that so markedly influence a device's usefulness and competitiveness. This two-volume handbook describes the various approaches to doped and undoped semiconducting polymers taken with the aim to provide vital understanding of how to control the properties of these fascinating organic materials. Prominent researchers from the fields of synthetic chemistry, physical chemistry, engineering, computational chemistry, theoretical physics, and applied physics cover all aspects from compounds to devices. Since the first edition was published in 2000, significant findings and successes have been achieved in the field, and especially handheld electronic gadgets have become billion-dollar markets that promise a fertile application ground for flexible, lighter and disposable alternatives to classic silicon circuitry. The second edition brings readers up-to-date on cutting edge research in this field.
Author : Patricia Maurice
Publisher : John Wiley & Sons
ISBN 13 : 0470400366
Total Pages : 469 pages
Book Rating : 4.4/5 (74 download)
Download or read book Environmental Surfaces and Interfaces from the Nanoscale to the Global Scale written by Patricia Maurice and published by John Wiley & Sons. This book was released on 2009-06-15 with total page 469 pages. Available in PDF, EPUB and Kindle. Book excerpt: An advanced exploration ofwater-rock interactions Based on the author's fifteen years of teaching and tried-and-tested experiences in the classroom, here is a comprehensive exploration of water-rock interactions. Environmental Surfaces and Interfaces from the Nanoscale to the Global Scale covers aspects ranging from the theory of charged particle surfaces to how minerals grow and dissolve to new frontiers in W-R interactions such as nanoparticles, geomicrobiology, and climate change. Providing basic conceptual understanding along with more complex subject matter, Professor Patricia Maurice encourages students to look beyond the text to ongoing research in the field. Designed to engage the learner, the book features: Numerous case studies to contextualize concepts Practice and thought questions at the end of each chapter Broad coverage from basic theory to cutting-edge topics such as nanotechnology Both basic and applied science This text goes beyond W-R interactions to touch on a broad range of environmental disciplines. While written for advanced undergraduate and graduate students primarily in geochemistry and soil chemistry, Environmental Surfaces and Interfaces from the Nanoscale to the Global Scale will serve the needs of such diverse fields as environmental engineering, hydrogeology, physics, biology, and environmental chemistry.
Author : Eva Perlt
Publisher : Springer Nature
ISBN 13 : 303067262X
Total Pages : 255 pages
Book Rating : 4.0/5 (36 download)
Download or read book Basis Sets in Computational Chemistry written by Eva Perlt and published by Springer Nature. This book was released on 2021-05-06 with total page 255 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. The different chapters introduce local orbitals and orbital localization as well as Slater-type orbitals and review basis sets for special applications, such as those for correlated methods, solid-state calculations, heavy atoms and time-dependent adaptable Gaussian bases for quantum dynamics simulations. This detailed review of the purpose of basis sets, their design, applications, possible problems and available solutions provides graduate students and beginning researchers with information not easily obtained from the available textbooks and offers valuable supporting material for any quantum chemistry or computational chemistry course at the graduate and/or undergraduate level. This book is also useful as a guide for researchers who are new to computational chemistry but are willing to extend their research tools by applying such methods.
Author : Phillip R. Westmoreland
Publisher : Springer Science & Business Media
ISBN 13 : 9401707650
Total Pages : 596 pages
Book Rating : 4.4/5 (17 download)
Download or read book Applying Molecular and Materials Modeling written by Phillip R. Westmoreland and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.
Author : Frederik Tielens
Publisher : MDPI
ISBN 13 : 3039361945
Total Pages : 166 pages
Book Rating : 4.0/5 (393 download)
Download or read book Modeling of Complex Interfaces: From Surface Chemistry to Nano Chemistry written by Frederik Tielens and published by MDPI. This book was released on 2020-12-02 with total page 166 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introducing the interdisciplinary field of interface chemistry modelling across a wide range of academic disciplines and industry sectors. Ten original research articles are presented that bridge knowledge acquisition and practical work, providing a starting point for the research and development of applications. The book describes the characterization of interfaces at the nanoscale, using a wide range of key nanomaterials, such as graphene, TiO2, zeolites, semimetals, and organic polymers; and the study of their different physical chemical properties, such as catalysis, adsorption, friction, diffusion, and the characterization of nanocomposites and heterojunctions, with many different industrial applications. The resulting collection of papers is equally relevant for advanced students (senior and graduate) and for engineers and scientists from a variety of different academic backgrounds working in the multidisciplinary field of nanotechnology.
Author : P.M. Duxbury
Publisher : Springer Science & Business Media
ISBN 13 : 0306456192
Total Pages : 248 pages
Book Rating : 4.3/5 (64 download)
Download or read book Dynamics of Crystal Surfaces and Interfaces written by P.M. Duxbury and published by Springer Science & Business Media. This book was released on 1997-07-31 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of a workshop held in Traverse City, Michigan, August 4-8, 1996
