Download or read book Electronic Structure Modeling of Molecular Chemisorption on Si 100 written by Kimberly Michelle Cross and published by . This book was released on 2007 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Electronic Structure written by and published by Elsevier. This book was released on 2000-07-19 with total page 1071 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is the second volume in the Handbook of Surface Science series and deals with aspects of the electronic structure of surfaces as investigated by means of the experimental and theoretical methods of physics. The importance of understanding surface phenomena stems from the fact that for many physical and chemical phenomena, the surface plays a key role: in electronic, magnetic, and optical devices, in heterogenous catalysis, in epitaxial growth, and the application of protective coatings, for example. Therefore a better understanding and, ultimately, a predictive description of surface and interface properties is vital for the progress of modern technology. An investigation of surface electronic structure is also central to our understanding of all aspects of surfaces from a fundamental point of view. The chapters presented here review the goals achieved in the field and map out the challenges ahead, both in experiment and theory.
Download or read book Electronic Structure Modeling written by Carl Trindle and published by CRC Press. This book was released on 2008-05-28 with total page 505 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry, including electronic structure modeling, is a fast and accurate tool for treating large chemically meaningful systems. Unique among current quantum chemistry texts, Electronic Structure Modeling: Connections Between Theory and Software enables nonspecialists to employ computational methods in their own investigations. The t
Download or read book Theory of Chemisorption written by J. R. Smith and published by Springer Science & Business Media. This book was released on 2013-03-08 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theory of the chemical interaction of molecules with surfaces has advanced handsomely in the last few years. This is due in part to the application of the entire arsenal of bulk solid-state theory and molecular quantum chemistry methods. This considerable activity was stimulated by an outpouring of experimental data, particularly of photoemission spectra. In many cases the theoretical techniques are now such that accurate, atomistic pictures of chemisorption phenomena are computed from first principles. This level of capability has been reached only recently, and has not been described anywhere in a comprehensive manner. The purpose of this monograph is to review these recent advances and, at the same time, to indicate a number of important questions which have not been answered. We discuss chemisorption on oxides, semiconductors, and both simple and transition metals. Solid surfaces as well as clusters are considered. While the review should be valuable to workers in the field, care has been taken to make the chapters understandable to the nonspecialist.
Download or read book Molecular Materials with Specific Interactions Modeling and Design written by W. Andrzej Sokalski and published by Springer Science & Business Media. This book was released on 2007-05-06 with total page 597 pages. Available in PDF, EPUB and Kindle. Book excerpt: Design of new molecular materials is emerging as a new interdisciplinary research field. Corresponding reports are scattered in literature, and this book constitutes one of the first attempts to overview ongoing research efforts. It provides basic information, as well as the details of theory and examples of its application, to experimentalists and theoreticians interested in modeling molecular properties and putting into practice rational design of new materials.
Download or read book Atomic and Electronic Structure of Surfaces written by Michel Lannoo and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 267 pages. Available in PDF, EPUB and Kindle. Book excerpt: Surfaces and interfaces play an increasingly important role in today's solid state devices. In this book the reader is introduced, in a didactic manner, to the essential theoretical aspects of the atomic and electronic structure of surfaces and interfaces. The book does not pretend to give a complete overview of contemporary problems and methods. Instead, the authors strive to provide simple but qualitatively useful arguments that apply to a wide variety of cases. The emphasis of the book is on semiconductor surfaces and interfaces but it also includes a thorough treatment of transition metals, a general discussion of phonon dispersion curves, and examples of large computational calculations. The exercises accompanying every chapter will be of great benefit to the student.
Download or read book C H N and O in Si and Characterization and Simulation of Materials and Processes written by A. Borghesi and published by Newnes. This book was released on 2012-12-02 with total page 580 pages. Available in PDF, EPUB and Kindle. Book excerpt: Containing over 200 papers, this volume contains the proceedings of two symposia in the E-MRS series. Part I presents a state of the art review of the topic - Carbon, Hydrogen, Nitrogen and Oxygen in Silicon and in Other Elemental Semiconductors. There was strong representation from the industrial laboratories, illustrating that the topic is highly relevant for the semiconductor industry. The second part of the volume deals with a topic which is undergoing a process of convergence with two concerns that are more particularly application oriented. Firstly, the advanced instrumentation which, through the use of atomic force and tunnel microscopies, high resolution electron microscopy and other high precision analysis instruments, now allows for direct access to atomic mechanisms. Secondly, the technological development which in all areas of applications, particularly in the field of microelectronics and microsystems, requires as a result of the miniaturisation race, a precise mastery of the microscopic mechanisms.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 602 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.
Download or read book Electron Scattering and Related Spectroscopies written by Maurizio De Crescenzi and published by World Scientific. This book was released on 1996 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt: The main purpose of this book is to provide an overview of all phenomena which can be categorized under the general label of ?electron scattering?, and to give a comprehensive description of all spectroscopical techniques related to electron scattering phenomena. Various classes of events are examined (electron in-electron out, photon in-electron out, electron in-two electron out, electron diffraction), together with the corresponding experimental techniques. A description of the underlying physics of various electron scattering phenomena is provided. For each spectroscopy, the general principles, the main fields of application, and some selected representative cases are discussed. The use of relatively low-cost electron sources is emphasized with respect to photon sources. The book is directed to PhD students and researchers not necessarily yet expert in the field.
Download or read book High Performance Computing in Science and Engineering 01 written by Egon Krause and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume summarizes the state of the art in supercomputing, with special emphasis on the industrial relevance of the presented results and methods. The book showcases an innovative usage of state-of-the-art modeling, novel numerical algorithms and the use of leading-edge high-performance computing systems in a GRID-like environment.
Download or read book Microcanonical Transition State Theory at Surfaces written by Heather Lynn Abbott and published by . This book was released on 2007 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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
Download or read book Ab Initio Electronic Structure Calculations of the Chemisorption Properties of H20 Molecules on the Ni3Al 001 Surface written by Mayra Tovar and published by . This book was released on 2003 with total page 110 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Surface Science written by Kurt W. Kolasinski and published by John Wiley & Sons. This book was released on 2002-03-29 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: Offers a comprehensive, modern introduction to the subject, taking a truly pedagogical approach. This text will provide the reader with a well-rounded understanding, not only of how chemistry works at surfaces, but also how to understand and probe the dynamics of surface reactions.
Download or read book Physics Briefs written by and published by . This book was released on 1994 with total page 1256 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Concepts in Surface Physics written by M.-C. Desjonqueres and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 621 pages. Available in PDF, EPUB and Kindle. Book excerpt: A tutorial treatment of the main concepts of the physics of crystal surfaces. Emphasis is placed on simplified calculations and the corresponding detailed analytical derivations, that are able to throw light on the most important physical mechanisms. More rigorous techniques, which often require a large amount of computer time, are also explained. Wherever possible, the theory is compared to practice, with the experimental methods being described from a theoretical rather than a technical viewpoint. The topics treated include thermodynamic and statistical properties of clean and adsorbate-covered surfaces, atomic structure, vibrational properties, electronic structure, and the theory of physisorption and chemisorption. The whole is rounded off with new excercises.
Download or read book Physics at Surfaces written by Andrew Zangwill and published by Cambridge University Press. This book was released on 1988-03-24 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physics at Surfaces is a unique graduate-level introduction to the physics and chemical physics of solid surfaces, and atoms and molecules that interact with solid surfaces. A subject of keen scientific inquiry since the last century, surface physics emerged as an independent discipline only in the late 1960s as a result of the development of ultra-high vacuum technology and high speed digital computers. With these tools, reliable experimental measurements and theoretical calculations could at last be compared. Progress in the last decade has been truly striking. This volume provides a synthesis of the entire field of surface physics from the perspective of a modern condensed matter physicist with a healthy interest in chemical physics. The exposition intertwines experiment and theory whenever possible, although there is little detailed discussion of technique. This much-needed text will be invaluable to graduate students and researchers in condensed matter physics, physical chemistry and materials science working in, or taking graduate courses in, surface science.
