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The Electronic Structure Of Some Transition Metal Nitrides And Carbides Studied By Angle Resolved Photoemission Spectroscopy
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Book Synopsis The Electronic Structure of Some Transition Metal Nitrides and Carbides Studied by Angle Resolved Photoemission Spectroscopy by : Anders Callenås
Download or read book The Electronic Structure of Some Transition Metal Nitrides and Carbides Studied by Angle Resolved Photoemission Spectroscopy written by Anders Callenås and published by . This book was released on 1985 with total page 27 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Electronic Structure of Some Transition Metal Nitrides AndCarbides Studied by Angle Resolved Photoemission Spectroscopy by :
Download or read book The Electronic Structure of Some Transition Metal Nitrides AndCarbides Studied by Angle Resolved Photoemission Spectroscopy written by and published by . This book was released on 1985 with total page 145 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Electronic Structure of Some Transition-Metal Nitride Surfaces Studied by Angle-Resolved Photoemission by :
Download or read book The Electronic Structure of Some Transition-Metal Nitride Surfaces Studied by Angle-Resolved Photoemission written by and published by . This book was released on 1988 with total page 19 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The electronic structure of some transition-metal nitride surfaces studied by angle-resolved photoemission by : Jan Lindström
Download or read book The electronic structure of some transition-metal nitride surfaces studied by angle-resolved photoemission written by Jan Lindström and published by . This book was released on 1988 with total page 28 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Transition Metal Carbides and Nitrides by : Louis Toth
Download or read book Transition Metal Carbides and Nitrides written by Louis Toth and published by Elsevier. This book was released on 2014-04-11 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Refractory Materials, Volume 7: Transition Metal Carbides and Nitrides discusses the developments in transition metal carbide and nitride research. This volume is organized into nine chapters that emphasize the mechanical and superconducting properties of these compounds. The introductory chapters deal with the general properties, preparation techniques, characterization, crystal chemistry, phase relationships, and thermodynamics of transition metal carbides and nitrides. The following chapter highlights the mechanical properties of these compounds, such as elastic and plastic deformation, fracture, strengthening mechanisms, and hardness. The discussion then shifts to specific electrical and magnetic properties, including electrical resistivity, Hall coefficient, and magnetic susceptibility. A separate chapter is devoted to carbides and nitrides as superconductors. The concluding chapters explore certain theories that explain the mechanisms of band structure and bonding in carbides and nitrides. This volume is of great value to research workers in metallurgy, ceramics, physics, chemistry, and related fields, as well as to advanced students investigating problems concerning high temperature materials or interstitial compounds.
Book Synopsis The Chemistry of Transition Metal Carbides and Nitrides by : S.T. Oyama
Download or read book The Chemistry of Transition Metal Carbides and Nitrides written by S.T. Oyama and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 565 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book arose from a symposium titled 'Transition Metal Carbides and Nitrides: Preparation, Properties, and Reactivity' organized by Jae Sung Lee, Masatoshi Nagai and myself. The symposium was part of the 1995 Congress of Pacific Rim Chemical Societies, held in Honolulu, Hawaii between December 17-22, 1995. The meeting was the first major conference to exclusively address the theme of metal carbides and nitrides, and brought together many of the major researchers in the field. Over 50 scientists and engineers reported their latest findings in five sessions of presentations and discussions. The book closely follows the topics covered in the conference: Theory of bonding Structure and composition Catalytic properties Physical properties New methods of preparation Spectroscopy and microscopy The book is unique in its coverage. It provides a general introduction to the properties and nature of the materials, but also covers their latest applications in a wide variety of fields. It should thus be of interest to both experts and nonexperts in the fields of material science, solid-state chemistry, physics, ceramics engineering, and catalysis. The first chapter gives an overview, and many of the chapters provide summaries of advanced topics. All contributions were peer-reviewed.
Download or read book Physics Briefs written by and published by . This book was released on 1992 with total page 820 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Structures of Metallic Transition Metal Dichalcogenides Studied by Angle-resolved Photoemission Spectroscopy by : Yiwei Li
Download or read book Electronic Structures of Metallic Transition Metal Dichalcogenides Studied by Angle-resolved Photoemission Spectroscopy written by Yiwei Li and published by . This book was released on 2019 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Structure Studies of Transition-metal Carbides and Nitrides by : Per Lindberg
Download or read book Electronic Structure Studies of Transition-metal Carbides and Nitrides written by Per Lindberg and published by . This book was released on 1987 with total page 57 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Structure of Refractory Carbides and Nitrides by : V. A. Gubanov
Download or read book Electronic Structure of Refractory Carbides and Nitrides written by V. A. Gubanov and published by Cambridge University Press. This book was released on 1994-02-03 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a systematic description of the electronic and physico-chemical properties of transition metal carbides and nitrides. The discussion is devoted to the theoretical modeling of refractory carbides and nitrides and alloys based on them, and the authors uniquely make use of computational methods to calculate their spectroscopic, electric, magnetic, superconducting, thermodynamical, and mechanical properties.
Book Synopsis 2D Metal Carbides and Nitrides (MXenes) by : Babak Anasori
Download or read book 2D Metal Carbides and Nitrides (MXenes) written by Babak Anasori and published by Springer Nature. This book was released on 2019-10-30 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the rapidly expanding field of two-dimensional (2D) transition metal carbides and nitrides (MXenes). It covers fundamental knowledge on synthesis, structure, and properties of these new materials, and a description of their processing, scale-up and emerging applications. The ways in which the quickly expanding family of MXenes can outperform other novel nanomaterials in a variety of applications, spanning from energy storage and conversion to electronics; from water science to transportation; and in defense and medical applications, are discussed in detail.
Book Synopsis Electronic Structure Studies of Transition-metal Carbides and Nitrides by :
Download or read book Electronic Structure Studies of Transition-metal Carbides and Nitrides written by and published by . This book was released on 1987 with total page 16 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electric Refractory Materials by : Yukinobu Kumashiro
Download or read book Electric Refractory Materials written by Yukinobu Kumashiro and published by CRC Press. This book was released on 2000-08-24 with total page 769 pages. Available in PDF, EPUB and Kindle. Book excerpt: An exploration of electric refractory materials, this book covers developments of blue light-emitting diodes using GaN-based nitrides for laser and high-temperature and -frequency devices. "Electric Refractory Materials" introduces growth and evaluation standards of films and bulk crystals, with consideration of band structure, surface electronic structure, and lattice vibrations. It also covers heat capacity and thermal conductivity, irradiation properties, and selective surfaces. Focusing on diamond material, the book examines its synthesis and characterization as well as its electrical, optical, and conductive properties. The book also discusses the use of silicon carbide, boron compounds, and other material used in electronic and light-emitting devices.
Book Synopsis Electronic Structure and Optical Properties of Layered Ternary Transition-metal Carbides and Nitrides by : Yuxiang Mo
Download or read book Electronic Structure and Optical Properties of Layered Ternary Transition-metal Carbides and Nitrides written by Yuxiang Mo and published by . This book was released on 2011 with total page 57 pages. Available in PDF, EPUB and Kindle. Book excerpt: The electronic structure and optical properties of Ti3AC2 (A=Al, Si, Ge), Ti2AC (A=Al, Ga, In; Si, Ge, Sn; P, As; S), Ti2AlN, M2AlC (M=V, Nb, Cr) and Tan+1AlCn (n=1~4) have been studied using first-principles orthogonalized linear combination of atomic orbitals (OLCAO) method. These layered ternary transition-metal carbides and nitrides are also commonly referred to as "MAX phases". Trends were observed for the calculated density of states (DOS) at Fermi-level, with respect to elemental variations and number of M and X layers. A local minimum of DOS(Ef) was found for Ti3AlC2, Ti2InC and Cr2AlC, predicting relatively high intrinsic structural stability. While a local maximum or an incline was discovered for Ti3GeC2, Ti2GeC, Ti2SnC, Ti2PC, Nb2AlC, Ta2AlC, Ta4AlC3 and Ta5AlC4, indicating their lower intrinsic structural stability. Inter-band optical conductivities showed anisotropy, but not considerable. The reflectance and colors of the MAX phase compounds were also obtained.
Book Synopsis Electronic Structure of Transition Metal Clusters, Actinide Complexes and Their Reactivities by :
Download or read book Electronic Structure of Transition Metal Clusters, Actinide Complexes and Their Reactivities written by and published by . This book was released on 2009 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a continuing DOE-BES funded project on transition metal and actinide containing species, aimed at the electronic structure and spectroscopy of transition metal and actinide containing species. While a long term connection of these species is to catalysis and environmental management of high-level nuclear wastes, the immediate relevance is directly to other DOE-BES funded experimental projects at DOE-National labs and universities. There are a number of ongoing gas-phase spectroscopic studies of these species at various places, and our computational work has been inspired by these experimental studies and we have also inspired other experimental and theoretical studies. Thus our studies have varied from spectroscopy of diatomic transition metal carbides to large complexes containing transition metals, and actinide complexes that are critical to the environment. In addition, we are continuing to make code enhancements and modernization of ALCHEMY II set of codes and its interface with relativistic configuration interaction (RCI). At present these codes can carry out multi-reference computations that included up to 60 million configurations and multiple states from each such CI expansion. ALCHEMY II codes have been modernized and converted to a variety of platforms such as Windows XP, and Linux. We have revamped the symbolic CI code to automate the MRSDCI technique so that the references are automatically chosen with a given cutoff from the CASSCF and thus we are doing accurate MRSDCI computations with 10,000 or larger reference space of configurations. The RCI code can also handle a large number of reference configurations, which include up to 10,000 reference configurations. Another major progress is in routinely including larger basis sets up to 5g functions in thee computations. Of course higher angular momenta functions can also be handled using Gaussian and other codes with other methods such as DFT, MP2, CCSD(T), etc. We have also calibrated our RECP methods with all-electron Douglas-Kroll relativistic methods. We have the capabilities for computing full CI extrapolations including spin-orbit effects and several one-electron properties and electron density maps including spin-orbit effects. We are continuously collaborating with several experimental groups around the country and at National Labs to carry out computational studies on the DOE-BES funded projects. The past work in the last 3 years was primarily motivated and driven by the concurrent or recent experimental studies on these systems. We were thus significantly benefited by coordinating our computational efforts with experimental studies. The interaction between theory and experiment has resulted in some unique and exciting opportunities. For example, for the very first time ever, the upper spin-orbit component of a heavy trimer such as Au3 was experimentally observed as a result of our accurate computational study on the upper electronic states of gold trimer. Likewise for the first time AuH2 could be observed and interpreted clearly due to our computed potential energy surfaces that revealed the existence of a large barrier to convert the isolated AuH2 back to Au and H2. We have also worked on yet to be observed systems and have made predictions for future experiments. We have computed the spectroscopic and thermodynamic properties of transition metal carbides transition metal clusters and compared our electronic states to the anion photodetachment spectra of Lai Sheng Wang. Prof Mike Morse and coworkers(funded also by DOE-BES) and Prof Stimle and coworkers(also funded by DOE-BES) are working on the spectroscopic properties of transition metal carbides and nitrides. Our predictions on the excited states of transition metal clusters such as Hf3, Nb2 etc., have been confirmed experimentally by Prof. Lombardi and coworkers using resonance Raman spectroscopy. We have also been studying larger complexes critical to the environmental management of high-level nuclear wastes. In collaboration with experimental colleague Prof Hieno Nitsche (Berkeley) and Dr. Pat Allen (Livermore, EXAFS) we have studied the uranyl complexes with silicates and carbonates. It should be stressed that although our computed ionization potential of uranium oxide was in conflict with the existing experimental data at the time, a subsequent gas-phase experimental work by Prof Mike Haven and coworkers published as communication in JACS confirmed our computed result to within 0.1 eV. This provides considerable confidence that the computed results in large basis sets with highly-correlated wave functions have excellent accuracies and they have the capabilities to predict the excited states also with great accuracy. Computations of actinide complexes (Uranyl and plutonyl complexes) are critical to management of high-level nuclear wastes.
Download or read book Metals Abstracts written by and published by . This book was released on 1985 with total page 1306 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Electronic Structure of Transition Metal Compounds Studied by Photoelectron Spectroscopy by : Christian Field
Download or read book The Electronic Structure of Transition Metal Compounds Studied by Photoelectron Spectroscopy written by Christian Field and published by . This book was released on 1995 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: