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Download or read book Theoretical Study of the Interaction of Hydrogen with Metals written by and published by . This book was released on 1989 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: X, 134 leaves, bound ill. 29 cm.
Download or read book Theoretical Studies of Hydrogen in Metals written by and published by . This book was released on 1978 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic band structure studies of metal-hydrogen systems have demonstrated the existence of large metal-hydrogen and hydrogen-hydrogen interactions. These interactions lead to the formation of stable hydride phases. Factors governing this interaction are investigated for various different structures. Possible new directions for theoretical research are indicated.
Author : Hideaki Kasai
Publisher : Springer Nature
ISBN 13 : 9811569940
Total Pages : 164 pages
Book Rating : 4.8/5 (115 download)
Download or read book Hydrogen and Hydrogen-Containing Molecules on Metal Surfaces written by Hideaki Kasai and published by Springer Nature. This book was released on 2020-08-01 with total page 164 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is dedicated to recent advancements in theoretical and computational studies on the interactions of hydrogen and hydrogenated molecules with metal surfaces. These studies are driven by the development of high-performance computers, new experimental findings, and the extensive work of technological applications towards the realization of a sustainable hydrogen economy. Understanding of the elementary processes of physical and chemical reactions on the atomic scale is important in the discovery of new materials with high chemical reactivity and catalytic activity, as well as high stability and durability. From this point of view, the book focuses on the behavior of hydrogen and hydrogenated molecules on flat, stepped, and reconstructed metal surfaces. It also tackles the quantum mechanical properties of hydrogen and related adsorbates; namely, molecular orbital angular momentum (spin) and diffusion along the minimum potential energy landscape on metal surfaces. All of these profoundly influence the outcomes of (1) catalytic reactions that involve hydrogen; (2) hydrogen storage in metals; and (3) hydrogen purification membranes. Lastly, it surveys the current status of the technology, outlook, and challenges for the long-desired sustainable hydrogen economy in relation to the topics covered in the book.
Author : G. Alefeld
Publisher :
ISBN 13 :
Total Pages : 420 pages
Book Rating : 4.F/5 ( download)
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:
Author : Jens Kehlet Nørskov
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (471 download)
Download or read book A Theoretical Study of Hydrogen Impurities in Free Electron Like Metals written by Jens Kehlet Nørskov and published by . This book was released on 1979 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 17 pages
Book Rating : 4.:/5 (227 download)
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.
Author : R. G. Barnes
Publisher :
ISBN 13 :
Total Pages : 336 pages
Book Rating : 4.:/5 (51 download)
Download or read book Hydrogen Storage Materials written by R. G. Barnes and published by . This book was released on 1988 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ames Laboratory, Iowa, USA
Author : Hans Hjelmberg
Publisher :
ISBN 13 :
Total Pages : 30 pages
Book Rating : 4.:/5 (186 download)
Download or read book A theoretical study of hydrogen chemisorption on free-electron-like metals written by Hans Hjelmberg and published by . This book was released on 1978 with total page 30 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : C.B. Satterthwaite
Publisher : Springer Science & Business Media
ISBN 13 : 1468476300
Total Pages : 682 pages
Book Rating : 4.4/5 (684 download)
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.
Download or read book Theoretical Studies of Chemisorption on Transition-metal Surfaces written by and published by . This book was released on 1982 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The research concerns the theory of chemisorption of molecules on solid surfaces: the development of a general formalism, and specific applications to the hydrogen-titanium system. The objective is to develop a suitable formalism for treating electronic interactions at an ab initio level when both localized and delocalized interactions occur, as in the case of molecular adsorption on a metallic surface. For H2 and CO adsorption on titanium, the goal is a determination of the energetics of adsorption and molecular dissociation as a function of surface site. The first phase of the research concerned primarily the formalism and the second the modeling of the titanium surface, preparatory to the chemisorption studies. The final phase of the research has dealt with applications of the chemisorption theory to several systems: H2 on Ti(0001), CO on Ti(0001), interstitial H in titanium, H on Cu(100) and H2 dissociation on Cu(100). Work on stepped copper surfaces and CO interactions with Ni(100) was also begun. With the exception of the latter two projects now underway, the results of all studies have been published. Brief summaries of the individual projects are included in this report.
Author : Aubrey T. Hanbicki
Publisher :
ISBN 13 :
Total Pages : 223 pages
Book Rating : 4.:/5 (187 download)
Download or read book The Interaction of Hydrogen with Alloy Surfaces written by Aubrey T. Hanbicki and published by . This book was released on 1997 with total page 223 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : A. C. Switendick
Publisher :
ISBN 13 :
Total Pages : 9 pages
Book Rating : 4.:/5 (641 download)
Download or read book Theoretical Studies of Hydrogen in Metals written by A. C. Switendick and published by . This book was released on 1978 with total page 9 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : G. Alefeld
Publisher : Springer
ISBN 13 : 9783540087052
Total Pages : 452 pages
Book Rating : 4.0/5 (87 download)
Download or read book Hydrogen in Metals I written by G. Alefeld and published by Springer. This book was released on 1978-08-01 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theoretical Studies of Chemisorption on Transition Metal Surfaces written by and published by . This book was released on 1978 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The research is concerned with the theory of chemisorption of molecules on solid surfaces, with applications to the hydrogen-titanium system. The ab initio computational formulation is based on two main ideas: (1) the application of a recently developed approximation technique which utilizes error bounds on electrostatic interactions to achieve a major organizational simplification of the problem, and (2) the definition of a local (surface) region plus the adsorbate in which the partitioning is accomplished by an orbital localization scheme. The first phase of research was concerned primarily with the implementation of basic computational techniques including the approximation of electrostatic interactions, development of multipole expansions, and the direct approximation of the electron density and first order density matrix derived from a given wavefunction based on error bound criteria. A pseudopotential method was developed for the approximation of atomic cores. Calculations on Ti atom, TiH, Ti/sub n/-linear (n = 1-10), Ti9-planar, and Ti9H systems were carried out to test the computational methods and to examine the concept of a local (surface) region defined by the localization transformation. In all linear chain and Ti9-planar cases, the exchange maximization with a designated site gave well localized orbitals, and in the linear chains, the localized orbitals were found to be invariant for n greater than or equal to 4.
Author : Amelia Y. Matos Matos
Publisher :
ISBN 13 :
Total Pages : 204 pages
Book Rating : 4.:/5 (397 download)
Download or read book Theoretical Studies of the Interaction of Molecular and Atomic Hydrogen with Metallic Clusters written by Amelia Y. Matos Matos and published by . This book was released on 1997 with total page 204 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Ali Awad Marashdeh
Publisher :
ISBN 13 :
Total Pages : 129 pages
Book Rating : 4.:/5 (192 download)
Download or read book A Cluster Density Functional Theory Study of the Interaction of the Hydrogen Storage System NaAlH4 with Transition Metal Catalysts written by Ali Awad Marashdeh and published by . This book was released on 2008 with total page 129 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : R.M. Latanison
Publisher : Springer Science & Business Media
ISBN 13 : 1461335000
Total Pages : 1043 pages
Book Rating : 4.4/5 (613 download)
Download or read book Atomistics of Fracture written by R.M. Latanison and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 1043 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is now more than 100 years since certain detrimental effects on the ductility of iron were first associated with the presence of hydrogen. Not only is hydrogen embrittlement still a major industri al problem, but it is safe to say that in a mechanistic sense we still do not know what hydrogen (but not nitrogen or oxygen, for example) does on an atomic scale to induce this degradation. The same applies to other examples of environmentally-induced fracture: what is it about the ubiquitous chloride ion that induces premature catastrophic fracture (stress corrosion cracking) of ordinarily ductile austenitic stainless steels? Why, moreover, are halide ions troublesome but the nitrate or sulfate anions not deleterious to such stainless steels? Likewise, why are some solid metals embrit tled catastrophically by same liquid metals (liquid metal embrit tlement) - copper and aluminum, for example, are embrittled by liquid mercury. In short, despite all that we may know about the materials science and mechanics of fracture on a macroscopic scale, we know little about the atomistics of fracture in the absence of environmental interactions and even less when embrittlement phe nomena such as those described above are involved. On the other hand, it is interesting to note that physical chemists and surface chemists also have interests in the same kinds of interactions that occur on an atomic scale when metals such as nickel or platinum are used, for example, as catalysts for chemical reactions.
