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First Principles Theory Of The Interaction Of Hydrogen With Surfaces And Bulk Of Transition Metals
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Book Synopsis First Principles Theory of the Interaction of Hydrogen with Surfaces and Bulk of Transition Metals by :
Download or read book First Principles Theory of the Interaction of Hydrogen with Surfaces and Bulk of Transition Metals written by and published by . This book was released on 1991 with total page 17 pages. Available in PDF, EPUB and Kindle. Book excerpt: This study compares hydrogen-induced changes of electronic and structural properties at metal surfaces to changes which occur when hydrogen atoms are absorbed in the bulk. Modifications of the metal binding near hydrogen atoms are investigated using first principles theoretical methods. Our results indicate the possibility of understanding the origins of hydrogen-induced surface reconstruction and of hydrogen-induced embrittlement of bulk metals on the same grounds.
Book Synopsis Scientific and Technical Aerospace Reports by :
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.
Book Synopsis First-principles Investigation of Hydrogen Interaction with Metals by : Davide Di Stefano
Download or read book First-principles Investigation of Hydrogen Interaction with Metals written by Davide Di Stefano and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Structure and Properties of Hydrogen in Metals by : C.B. Satterthwaite
Download or read book Electronic Structure and Properties of Hydrogen in Metals written by C.B. Satterthwaite and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 682 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrogen is the smallest impurity atom that can be implanted in a metallic host. Its small mass and strong interaction with the host electrons and nuclei are responsible for many anomalous and interesting solid state effects. In addition, hydrogen in metals gives rise to a number of technological problems such as hydrogen embrittlement, hydrogen storage, radiation hardening, first wall problems associated with nuclear fusion reactors, and degradation of the fuel cladding in fission reactors. Both the fundamental effects and applied problems have stimulated a great deal of inter est in the study of metal hydrogen systems in recent years. This is evident from a growing list of publications as well as several international conferences held in this field during the past decade. It is clear that a fundamental understanding of these problems re quires a firm knowledge of the basic interactions between hydrogen, host metal atoms, intrinsic lattice defects and electrons. This understanding is made particularly difficult by hyrogen's small mass and by the large lattice distortions that accompany the hydrogenation process. The purpose of the "International Symposium on the Electronic Structure and Properties of Hydrogen in Metals" held in Richmond, Virginia, March 4-6, 1982 was to increase our fundamental under standing of hydrogen in metals. Such knowledge is essential in solving technologically important questions. The symposium con sisted of twenty-two invited papers and seventy-two contributed poster presentations and attracted nearly 150 participants from thirteen countries. The proceedings of this symposium constitute this book.
Book Synopsis Effect of Hydrogen on the Structural of Transition Metal Surfaces by : Ahmad Mubarak
Download or read book Effect of Hydrogen on the Structural of Transition Metal Surfaces written by Ahmad Mubarak and published by LAP Lambert Academic Publishing. This book was released on 2012 with total page 124 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work presents the interaction of hydrogen atoms with surface layers of transition metal surfaces at the (001) orientation, (V, Fe, Co, Ni, Cu, and Ag), and Fe, Co and Ni overlayer on Cu(001) and Ag(001) substrate using first principles calculations. I performed these calculations using full-potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) of density functional theory (DFT) as implemented in Wien2kcode. Now, I am working on hydrogen dissociation and diffusion on transition metal surfaces to designing the fuel cell by using DFT calculation
Book Synopsis Theory of Chemisorption by : J. R. Smith
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.
Book Synopsis Hydrogen in Metals: Application-oriented properties by : G. Alefeld
Download or read book Hydrogen in Metals: Application-oriented properties written by G. Alefeld and published by . This book was released on 1978 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Cooperative Phenomena written by H. Haken and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of cooperative phenomena is one of the dominant features of contem porary physics. Outside physics it has grown to a huge field of interdisciplinary investigation, involving all the natural sciences from physics via biology to socio logy. Yet, during the first few decades following the advent of quantum theory, the pursuit of the single particle or the single atom, as the case may be, has been so fascinating that only a small number of physicists have stressed the importance of collective behaviour. One outstanding personality among these few is Professor HERBERT FROHLICH. He has made an enormous contribution to the modern concept of cooperativity and has stimulated a whole generation of physicists. Therefore, it seemed to the editors very appropriate to dedicate a volume on "cooperative phenomena" to him on the occasion of his official retirement from his university duties. Nevertheless, in the course of carrying out this project, the editors have been somewhat amazed to find that they have covered the essentials of contemporary physics and its im pact on other scientific disciplines. It thus becomes clear how much HERBERT FROHLICH has inspired research workers and has acted as a stimulating discussion partner for others. FROHLICH is one of those exceptional scientists who have wor ked in quite different fields and given them an enormous impetus. Unfortunately, the number of scientists of such distinctive personality has been decreasing in our century.
Book Synopsis Surface Alloys and Alloy Surfaces by :
Download or read book Surface Alloys and Alloy Surfaces written by and published by Elsevier. This book was released on 2002-08-21 with total page 553 pages. Available in PDF, EPUB and Kindle. Book excerpt: DescriptionSurface Alloys and Alloy Surfaces is concerned with the structural, compositional, electronic and chemical properties of the surfaces of solids in which the surface layers, at least are alloyed. Two different categories of system are covered - the surfaces of bulk alloys (alloy surfaces) and surface phases in which one or more outermost atomic layers are alloyed, while the underlying bulk involves no such intermixing (surface alloys).Importance of TopicThe surfaces of bulk alloys have long been known to be of practical interest for their chemical properties. It has also long been known that the surface composition of such alloys commonly differs from that of the underlying bulk. However, our understanding of these chemical and physical phenomena is far from complete and the application of surface science methods to investigate these phenomena is a manifestation of a general trend to study the surfaces of increasing complexity. Surface alloy formation, as a much more recently recognized phenomenon deserves more attention.Why This TitleThis title is important as it provides new insights into a mixture of new and old problems. It is the first to cover the important mixture of material on surface alloys and alloy surfaces. Each chapter is written by experts in different areas of these two interrelated topics, covering theory and experiment, physics and chemistry, geometrical and electronic structure. The coverage of the surface alloy topic is especially novel as it is relatively newly-recognised as quite a common phenomenon.
Book Synopsis Advances in Ceramics for Environmental, Functional, Structural, and Energy Applications II by : Amar S. Bhalla
Download or read book Advances in Ceramics for Environmental, Functional, Structural, and Energy Applications II written by Amar S. Bhalla and published by John Wiley & Sons. This book was released on 2019-08-22 with total page 307 pages. Available in PDF, EPUB and Kindle. Book excerpt: This proceedings contains a collection of 22 papers presented at the 2018 Materials Science and Technology Meeting (MS&T'18) held in Columbus, Ohio, October 14-18, 2018. Symposia topics included in this volume are: Advances in Dielectric Materials and Electronic Devices Innovative Processing and Synthesis of Ceramics, Glasses and Composites International Symposium on Ceramic Matrix Composites Materials for Nuclear Applications and Extreme Environments Nanotechnology for Energy, Environment, Electronics, Healthcare and Industry Processing and Performance of Materials Using Microwaves, Electric and Magnetic Fields, Ultrasound, Lasers, and Mechanical Work – Rustum Roy Symposium Additive Manufacturing of Composites and Complex Materials Eco-Friendly and Sustainable Ceramics
Download or read book MXenes written by Yury Gogotsi and published by CRC Press. This book was released on 2023-08-24 with total page 1100 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since their discovery in 2011, MXenes (2D carbides, nitrides, and carbonitrides of early transition metals) have developed into one of the largest and most intensively studied families of 2D materials. They offer unique properties and are being explored in a large variety of applications. This book compiles the most important research from a pioneer of the field, Professor Yury Gogotsi, and his interdisciplinary research team, as well as numerous collaborators worldwide. It reports on the discovery and rise of MXenes and describes their synthesis and processing, properties, and incorporation into polymer, ceramic, and metal matrices to produce composites. It also discusses the potential of MXenes for use in energy storage, optics, electronics, and sensing, as well as biomedical, environmental, and electrocatalysis applications. The book will appeal to anyone interested in nanomaterials and their synthesis, properties, and applications.
Book Synopsis Chemical Bonds Outside Metal Surfaces by : Norman H. March
Download or read book Chemical Bonds Outside Metal Surfaces written by Norman H. March and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: The problem of molecules interacting with metal surfaces has for a very long time been recognized to be of considerable technological as well as fundamental importance. Thus in the former category, a substantial number of important synthetic reactions for industrial purposes make use of metal surfaces as catalysts. Or again, problems of corrosion of metals are of great practical importance, such as in nuclear-reactor technology [see, for instance, my earlier articles, in: Physics Bulletin, Volume 25, p. 582, Institute of Physics, UK (1974); and in: Physics and Contemporqry Needs (Riazuddin, ed. ), Vol. 1, p. 53, Plenum Press, New York (1977)]. It is therefore of significance to strive to gain a more fundamental understand ing of the atomic, and ultimately the electronic, processes that occur when a molecule is brought into the proximity of a metal surface. The present volume focuses mainly on the theory and concepts involved; however, it is intended for readers in chemistry, physics, and materials science who are not specialists in theory but nevertheless wish to learn more about this truly interdisciplinary area of theoretical science. The aim of the book is to present the way in which valence theory can be synthesized with the understanding of metals that has been gained over the last half century or so. While advanced theory has at times been necessary, is largely presented in an extensive set of Appendixes.
Book Synopsis Chemical Reaction Theory by : Royal Society of Chemistry
Download or read book Chemical Reaction Theory written by Royal Society of Chemistry and published by Royal Society of Chemistry. This book was released on 1998 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: Papers presenting the theory of chemical reactions and the comparison with experiment.
Book Synopsis Inventory of Energy Research and Development, 1973-1975 by : Oak Ridge National Laboratory
Download or read book Inventory of Energy Research and Development, 1973-1975 written by Oak Ridge National Laboratory and published by . This book was released on 1976 with total page 948 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Elemental Graphene Analogues by : D.J. Fisher
Download or read book Elemental Graphene Analogues written by D.J. Fisher and published by Materials Research Forum LLC. This book was released on 2017-06-01 with total page 385 pages. Available in PDF, EPUB and Kindle. Book excerpt: One of the greatest revolutions in materials science in recent years has been the literal renaissance of age-old materials in new and unexpected guises and possessing correspondingly astounding properties. There was once a time, for instance, when textbooks declared that only metals could offer any progress in superconduction. Since then, familiar perovskites – and even humble magnesium boride – have been recognised as being so-called ‘room-temperature’ superconductors. Carbon in particular has benefited from this revolution and has now found application as routinely deposited diamond coatings and as C60 ‘buckyballs’. The most recent innovation has been the discovery and preparation of graphene; single-monolayer carbon having a remarkable strength. This success has naturally led researchers to ask whether other materials might also be prepared in an analogous monolayer form and offer similarly amazing properties. The present monograph summarizes all of the work carried out on such monolayer materials up to the beginning of 2017, with attention being restricted to those, like graphene, being composed of a single element. Most of the work done so far on these ‘elemental graphene analogues’ has been theoretical, but the existing experimental data suggest that they may well become as useful as graphene.
Book Synopsis Inventory of Energy Research and Development, 1973-1975: Introduction, Energy research and development projects by : Oak Ridge National Laboratory
Download or read book Inventory of Energy Research and Development, 1973-1975: Introduction, Energy research and development projects written by Oak Ridge National Laboratory and published by . This book was released on 1976 with total page 952 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Band Structure of Cubic Hydrides by : Dimitrios A. Papaconstantopoulos
Download or read book Band Structure of Cubic Hydrides written by Dimitrios A. Papaconstantopoulos and published by Springer Nature. This book was released on 2023-02-20 with total page 687 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book compiles detailed results of electronic structure calculations for most possible cubic monohydrides, dihydrides and selected trihydrides related to superconductivity, comprising elements with atomic numbers up to 103. Beginning with an introduction to the theory and details of the computational methods implemented, this handbook presents a collection of chapters containing results for different classes of cubic hydrides, featuring tables of three-centre and two-centre tight-binding parameterizations, diagrams of energy bands, and densities of states with angular momentum decomposition. Equilibrium lattice parameters and bulk moduli are also included, along with the electron-ion matrix element (Hopfield-McMillan parameter), Stoner criterion for ferromagnetism and values of Fermi velocities and plasmon energies. Each chapter features a brief text explaining the results presented with comparison to experimental values when available. A selection of the implemented computer codes is reproduced for the reader’s own use. This handbook is an ideal complement to any standard electronic structure text for students and researchers in materials science, condensed matter physics, and quantum chemistry.
