Download or read book Structure property Relationships of Oxide Surfaces and Interfaces written by and published by . This book was released on 2002 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Structure property Relationships in Complex Oxides written by Iflah Laraib and published by . This book was released on 2022 with total page 125 pages. Available in PDF, EPUB and Kindle. Book excerpt: Finally, we analyze the performance of different functionals in describing the electronic structure of several metal oxides, focusing on band gap, ionization potential (IP), and electron affinity (EA). We employ methods that go beyond the semi(local) approximations in density functional theory to inspect how ionization potentials and electron affinities are corrected, discussing in particular the performance of the meta-GGA SCAN, DFT+U, and hybrid functionals in the description of some representative semiconductors, band insulators, and Mott insulators, by comparing with available experimental data. We find that with a careful choice of U, DFT+U does correct band gaps in most cases, however, it often leads to wrong descriptions of IP and EA; whereas the screened hybrid functional of Heyd-Scuseria-Ernzerhof with appropriate mixing parameter, leads to accurate description of IP and EA in most cases. Our work indicates that interpretations of widely used high-throughput screening of materials for catalysis, photovoltaics, or batteries (where IP and EA, and band gaps are crucial parameters) based on the computationally inexpensive DFT+U method should be taken with great care.

Download or read book Structure Processing Properties Relationships in Stoichiometric and Nonstoichiometric Oxides written by Speranta Tanasescu and published by BoD – Books on Demand. This book was released on 2020-11-04 with total page 104 pages. Available in PDF, EPUB and Kindle. Book excerpt: The interrelation among composition, microstructure, and properties of stoichiometric and nonstoichiometric compounds is a major field of research for both scientific and technological reasons. As such, this book focuses on metal oxides, which present a large diversity of electrical, magnetic, optical, optoelectronic, thermal, electrochemical, and catalytic properties, making them suitable for a wide range of applications. By bringing together scientific contributions with special emphasis on the interrelations between materials chemistry, processing, microstructures, and properties of stoichiometric and nonstoichiometric metal oxides, this book highlights the importance of tightly integrating high-throughput experiments (including both synthesis and characterization) and efficient and robust theory for the design of advanced materials.

Download or read book Structure property Relationships of Oxide Surfaces and Interfaces written by and published by . This book was released on 2003 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Characterizing Local Structure in Complex Oxides with Quantitative Scanning Transmission Electron Microscopy written by Jack Y. Zhang and published by . This book was released on 2016 with total page 180 pages. Available in PDF, EPUB and Kindle. Book excerpt: Perovskite oxides remain a material class with properties that can be difficult to predict. Strong electron correlations, coupling between electron, lattice, spin and orbital degrees of freedoms, combined with the versatility of the structure itself, result in a wide range of properties, with unique emergent phenomena that occur only at heterointerfaces. Structure plays an especially important role in determining the properties of perovskite oxides. Small distortions in the lattice, particularly rotations or tilts of the oxygen octahedra, can have large effects on the material's electrical and magnetic properties. One way we can tune these rotations is by growing thin film heterostructures, allowing us to tailor the properties of these materials in ways not possible in the bulk. Therefore, determining the local atomic structure in these films is critical for understanding the structure-property relationships, and the origin of any emergent behavior that may exist at an interface.

Download or read book Complex Oxides An Introduction written by Buttrey Douglas J and published by World Scientific. This book was released on 2019-03-20 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a unique look at the chemistry and properties of complex metal oxides from the perspectives of some of the most active researchers on this class of materials. Applications of complex oxide materials are highly varied. Topics reviewed in this volume include solid-state battery research, the chemistry of transparent conductors, ternary uranium oxides, magnetic perovskites, non-linear optical materials, complex molybdenum-vanadium bronzes and other complex materials used in selective oxidation catalysis. It is written to serve as an introduction to the subject for and those beginning to work on these materials, particularly new graduate students.

Download or read book Structure Property Relationships of Oxide Surfaces and Interfaces II Volume 751 written by Materials Research Society. Meeting and published by . This book was released on 2003-05-21 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: Because surfaces and interfaces found in oxide systems are strikingly complex, they can only be fully understood when examined at an atomic level. Yet for the materials scientist, such understanding is of paramount importance since future technological advances require it. This book, the second in a new series from the Materials Research Society, addresses structure-property relationships in these systems. Compared to the first proceedings, here we see a shift towards less well-defined materials that often more closely resemble reality, and an increasing effort to study these phenomena using in situ techniques. Of particular interest are discussions on the dynamical evolution of surface structure and relationships between the structure of surfaces, their stoichiometry and the distribution of bulk dislocations, which in turn can control the growth and retraction of islands and pits. Modeling and characterization of thin intergranular films, with a focus on how these films influence the properties of so many ceramic materials, are also addressed.

Download or read book Perovskites written by Richard J. D. Tilley and published by John Wiley & Sons. This book was released on 2016-03-03 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uniquely describes both the crystallography and properties of perovskite related materials. Practical applications in solar cells, microelectronics and telecommunications Interdisciplinary topic drawing on materials science, chemistry, physics, and geology Contains problems and answers to enhance knowledge retention

Download or read book Structure Property Relationships of Oxide Surfaces and Interfaces written by C. Barry Carter and published by Cambridge University Press. This book was released on 2014-06-05 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer modeling has reached a new level of sophistication, where it can be used to predict the structure and energy of interfaces in oxides. Nowhere is this activity more important than in these ceramic materials, where more applications are being discovered but the fundamental properties are often poorly known or not known at all. As more multicomponent oxides are exploited for their novel properties, both the experimentalist and the modeler will be challenged to predict or explain the behavior of these materials under a wide range of conditions. This book focuses on the interfaces of oxide-based materials. The areas of composite materials, materials synthesis, microscopy, defect chemistry and structure, nanomaterials technologies, thin-film synthesis and characterization, computer modeling, structural characterization and properties measurement of surfaces and internal interfaces are featured together with advances in computer modeling of oxide interfaces. A series on structural characterization of surfaces and interfaces utilizing advanced microscopic techniques is also provided, as is a series on the measurement of properties of real interfaces (diffusion, mechanical, electrical and magnetic).

Download or read book Structure property Relationships in Oxides Containing Select Platinum Group Metals written by Alvin J. Gatimu and published by . This book was released on 2012 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt: Oxide materials exhibit a wide variety of structures and properties. In particular, transition metal oxides tend to be highly stable while exhibiting a wide range of properties that can be used for numerous applications. This work focuses on investigating how the structures' of 4d and 5d transition metal oxides influences their properties. Specifically oxides of Ru, Rh and Ir were investigated. A complete solid solution was found between isostructural Pb3Mn--O15 and Pb3Rh--O15. Pb3Rh--O15 shows a Verwey-type transition at 185 K. This transition remains with a 3 % substitution of Mn for Rh but disappears with a 4 % substitution of Mn for Rh. The structure was found to expand in the direction perpendicular to the layers of the structure, which is the c-axis, despite a contracting unit cell. Bi for Pb substitution in Pb3Mn--O15 was found to be limited as compared to in Pb3Rh--O15. Alkali metal substitution on the A-site of the orthorhombic perovskite SrRuO3 showed only low substitution levels were possible. Nonetheless, the substituted phases showed decreased ferromagnetic Curie temperatures, increased electrical resisitivity and relatively unchanged Seebeck coefficients. Thermoelectric studies of Sr[subscript 2-x]La[subscript x]CoRuO6 perovskite phases showed Sr1.1La0.9CoRuO6 with the best thermoelectric performance. This system showed possible correlations between cation ordering on the B-site and the charge carrier transport. A similar thermoelectric study of (RhV)[subscript 1+x]Ti[subscript 1-2x]O6 phases crystallizing in a disordered trirutile structure was done. Electron carriers were found to be dominant and dependent on Ti content. The electron carriers appear to become diminished at higher temperatures. Sr2IrO4 crystallizes in a K2NiF4-type structure. Effects of Ti, Fe and Co substitution for Ir were investigated. A complete Sr2Ir[subscript 1-x]Ti[subscript x]O4 solid solution was synthesized and characterized while limited solubility was found for Fe and Co substitutions. All substitutions showed a decrease in the c-cell parameter coupled with a decrease in octahedral tilting. All substitutions also showed a decrease in magnetic susceptibility and an increase in the paramagnetic effective moment was observed for Co and Fe doped samples. An incomplete solid solution was formed for Sr2Ti[subscript 1-x]Rh[subscript x]O4 phases; however effects of increased octahedral tilting with higher Rh content were observed.

Download or read book Structure Property Relationships of Oxide Surfaces and Interfaces written by C. Barry Carter and published by Cambridge University Press. This book was released on 2001-09-07 with total page 326 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer modeling has reached a new level of sophistication, where it can be used to predict the structure and energy of interfaces in oxides. Nowhere is this activity more important than in these ceramic materials, where more applications are being discovered but the fundamental properties are often poorly known or not known at all. As more multicomponent oxides are exploited for their novel properties, both the experimentalist and the modeler will be challenged to predict or explain the behavior of these materials under a wide range of conditions. This book focuses on the interfaces of oxide-based materials. The areas of composite materials, materials synthesis, microscopy, defect chemistry and structure, nanomaterials technologies, thin-film synthesis and characterization, computer modeling, structural characterization and properties measurement of surfaces and internal interfaces are featured together with advances in computer modeling of oxide interfaces. A series on structural characterization of surfaces and interfaces utilizing advanced microscopic techniques is also provided, as is a series on the measurement of properties of real interfaces (diffusion, mechanical, electrical and magnetic).

Download or read book Synthesis and Structure property Relationship of Mullite type Oxides written by Kowsik Ghosh and published by . This book was released on 2021 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Oxide Thermoelectric Materials written by Yuan-Hua Lin and published by John Wiley & Sons. This book was released on 2019-10-28 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book of its kind?providing comprehensive information on oxide thermoelectrics This timely book explores the latest research results on the physics and materials science of oxide thermoelectrics at all scales. It covers the theory, design and properties of thermoelectric materials as well as fabrication technologies for devices and their applications. Written by three distinguished materials scientists, Oxide Thermoelectric Materials reviews: the fundamentals of electron and phonon transport; modeling of thermoelectric modules and their optimization; synthetic processes, structures, and properties of thermoelectric materials such as Bi2Te3- and skutterudite-based materials and Si-Ge alloys. In addition, the book provides a detailed description of the construction of thermoelectric devices and their applications. -Contains fundamentals and applications of thermoelectric materials and devices, and discusses their near-future perspectives -Introduces new, promising materials and technologies, such as nanostructured materials, perovskites, and composites -Paves the way for increased conversion efficiencies of oxides -Authored by well-known experts in the field of thermoelectrics Oxide Thermoelectric Materials is a well-organized guidebook for graduate students involved in physics, chemistry, or materials science. It is also helpful for researchers who are getting involved in thermoelectric research and development.

Download or read book Structure Composition Property Relationships of Complex Bismuth Oxide Based Photocatalysts written by and published by . This book was released on 2014 with total page 5 pages. Available in PDF, EPUB and Kindle. Book excerpt: Development of a new family of up- and down-conversion materials based on oxtfluorides that can potentially increase photocatalytic activities of photocatalysts such as bismuth oxides and can also be used as phosphors in Al1-xGaxN-based devices and solar devices.

Download or read book Catalysis written by Jun Bao and published by Royal Society of Chemistry. This book was released on 2013 with total page 259 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Catalysis" is sure to be of interest to readers working in academia and industry that need an up-to-date critical analysis and summary of catalysis research and applications.

Download or read book Structure Property Relationships in Surface Modified Ceramics written by C.J. McHargue and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 517 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of ion beams for the modification of the structure and properties of the near-surface region of ceramics began in earnest in the early 19805. Since the mechanical properties of such materials are dominated by surface flaws and the surface stress state, the use of surface modification tech niques would appear to be an obvious application. As is often the case in research and development, most of the initial studies can be characterized as cataloging the response of various ceramic materials to a range of ion beam treatments. The systematic study of material and ion beam parameters is well underway and we are now designing experiments to provide specific information about the processing parameter - structure-property rela tionships. This NATO-Advanced Study Institute was convened in order to assess our current state of knowledge in this field, to identify opportunities and needs for further research, and to identify the potential of such processes for technological application. It became apparent that this class of inorganic compounds, loosely termed ceramics, presents many challenges to the understanding of ion-solid inter actions, the relationships among ion-beam parameters, materials parameters, and the resulting structures, as well as relationships between structure and properties. In many instances, this understanding will represent a major extension of that learned from the study of metals and semiconductors.

Download or read book Structure And Properties Of Oxide Melts The Application Of Basic Science To Metallurgical Processing written by James M Toguri and published by World Scientific. This book was released on 1998-08-22 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an extended introductory treatise on the atomic scale structure and physicochemical properties of oxide melts (mainly silicates), from both the basic science and applied engineering points of view. It provides current experimental information on the structure of oxide melts and glasses as well as a convenient outline of their various physicochemical properties, including the subject of how structural data can be correlated with their macroscopic properties.The book also includes a fundamental introduction to the beneficial utilization of waste oxides largely arising from metal production around the world. This will be very useful for people working in the fields of metallurgy and environmental science. With more than 300 references, and numerous illustrations and tables, this book is a unique and valuable source of information and guidance for specialists and nonspecialists alike.