Download or read book First Principles Studies of Transition Metal Surfaces written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Xiv, 110 leaves : ill. ; 30 cm.
Download or read book First principles Studies of the Reactivity of Oxygen on Transition Metal Surfaces written by Ye Xu and published by . This book was released on 2004 with total page 242 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book First principles Studies of the Reactivity of Transition Metal Oxide Surfaces written by Li Pan and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Transition metals such as platinum and palladium are important oxidation catalysts used in processes such as exhaust-gas treatment (e.g. catalytic converters) and power generation (e.g. gas turbines). Often these catalysts operate under oxygen-rich conditions and a variety of oxygen phases may potentially form. The formed oxide surfaces may dramatically alter catalytic performance. As an example, PdO has been shown to have a high activity in the catalytic combustion of methane. We have investigated the reaction chemistry of the PdO(101) surface using Density Functional Theory (DFT) and compared our results with surface science experiments. The philosophy behind our approach is to examine individual processes that occur during the more complex catalytic reaction conditions. This approach allows us to establish a fundamental understanding of these underlying processes and ultimately will help in assembling a full picture of catalyst behavior under reaction conditions.
Download or read book Utilization of First principles Based Models in the Mechanistic Studies of Thermocatalytic and Photocatalytic Processes on Transition Metal Surfaces written by Talin Avanesian and published by . This book was released on 2016 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this work we utilized quantum chemical calculations coupled with numerical and analytical models to predict macroscopic observables associated with catalytic and photocatalytic processes on transition metal surfaces. All the predicted macroscopic observables were validated based on experimental measurements. The theoretical models developed here provide atomic scale insights into the mechanisms of catalytic and photocatalytic processes and suggest areas for future research in the design of novel catalysts.
Download or read book Surface Segregation written by J. du Plessis and published by Trans Tech Publications Ltd. This book was released on 1991-01-01 with total page 132 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book presents the fundamental aspects of surface segregation theory. The material is presented in a self-contained manner and mathematical procedures are worked through in some cases in order to provide the reader with the necessary opportunity to realize the restrictions under which the expressions are valid.
Download or read book Theoretical Surface Science written by Axel Groß and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent years have witnessed tremendous progress in the theoretical treatment of surfaces and processes on surfaces. A variety of surface properties can now be described from first principles, i.e. without invoking any empirical parameters. In this book the theoretical concepts and computational tools necessary and relevant for a microscopic approach to the theoretical description of surface science is presented. Based on the fundamental theoretical entity, the Hamiltonian, a hierarchy of theoretical methods is introduced. Furthermore, a detailed discussion of surface phenomena is given and comparisons made to experimental results made, making the book suitable for both graduate students and for experimentalists seeking an overview of the theoretical concepts in surface science.
Download or read book Atomic Scale Characterization and First Principles Studies of Si3N4 Interfaces written by Weronika Walkosz and published by Springer Science & Business Media. This book was released on 2011-04-06 with total page 114 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis presents results from a combined atomic-resolution Z-contrast and annular bright-field imaging and electron energy loss spectroscopy in the Scanning Transmission Electron Microscopy, as well as first principles studies of the interfaces between crystalline β−Si3N4 and amorphous (i) CeO2-x as well as (ii) SiO2 intergranular film (IGF). These interfaces are of a great fundamental and technological interest because they play an important role in the microstructural evolution and mechanical properties of Si3N4 ceramics used in many high temperature and pressure applications. The main contribution of this work is its detailed description of the bonding characteristics of light atoms, in particular oxygen and nitrogen, at these interfaces, which has not been achieved before. The atomic-scale information on the arrangement of both light and heavy atoms is critical for realistic modeling of interface properties, such as interface strength and ion transport, and will facilitate increased control over the performance of ceramic and semiconductor materials for a wide-range of applications.
Download or read book Metal Oxides in Supercapacitors written by Deepak P. Dubal and published by Elsevier. This book was released on 2017-07-10 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal Oxides in Supercapacitors addresses the fundamentals of metal oxide-based supercapacitors and provides an overview of recent advancements in this area. Metal oxides attract most of the materials scientists use due to their excellent physico-chemical properties and stability in electrochemical systems. This justification for the usage of metal oxides as electrode materials in supercapacitors is their potential to attain high capacitance at low cost. After providing the principles, the heart of the book discusses recent advances, including: binary metal oxides-based supercapacitors, nanotechnology, ternary metal oxides, polyoxometalates and hybrids. Moreover, the factors affecting the charge storage mechanism of metal oxides are explored in detail. The electrolytes, which are the soul of supercapacitors and a mostly ignored character of investigations, are also exposed in depth, as is the fabrication and design of supercapacitors and their merits and demerits. Lastly, the market status of supercapacitors and a discussion pointing out the future scope and directions of next generation metal oxides based supercapacitors is explored, making this a comprehensive book on the latest, cutting-edge research in the field. - Explores the most recent advances made in metal oxides in supercapacitors - Discusses cutting-edge nanotechnology for supercapacitors - Includes fundamental properties of metal oxides in supercapacitors that can be used to guide and promote technology development - Contains contributions from leading international scientists active in supercapacitor research and manufacturing
Download or read book Introduction to Scanning Tunneling Microscopy Third Edition written by C. Julian Chen and published by Oxford University Press, USA. This book was released on 2021-01-29 with total page 523 pages. Available in PDF, EPUB and Kindle. Book excerpt: This third edition is a thoroughly updated and improved version of the recognized "Bible" of the field.
Download or read book First Principles Studies of Aromatic Adsorbates on Transition Metals written by Shuichi Yamagishi and published by . This book was released on 2002 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Bimetallic Nanostructures written by Ya-Wen Zhang and published by John Wiley & Sons. This book was released on 2018-05-14 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: Systematically summarizes the current status and recent advances in bimetallic structures, their shape-controlled synthesis, properties, and applications Intensive researches are currently being carried out on bimetallic nanostructures, focusing on a number of fundamental, physical, and chemical questions regarding their synthesis and properties. This book presents a systematic and comprehensive summary of the current status and recent advances in this field, supporting readers in the synthesis of model bimetallic nanoparticles, and the exploration and interpretation of their properties. Bimetallic Nanostructures: Shape-Controlled Synthesis for Catalysis, Plasmonics and Sensing Applications is divided into three parts. Part 1 introduces basic chemical and physical knowledge of bimetallic structures, including fundamentals, computational models, and in situ characterization techniques. Part 2 summarizes recent developments in synthetic methods, characterization, and properties of bimetallic structures from the perspective of morphology effect, including zero-dimensional nanomaterials, one-dimensional nanomaterials, and two-dimensional nanomaterials. Part 3 discusses applications in electrocatalysis, heterogeneous catalysis, plasmonics and sensing. Comprehensive reference for an important multidisciplinary research field Thoroughly summarizes the present state and latest developments in bimetallic structures Helps researchers find optimal synthetic methods and explore new phenomena in surface science and synthetic chemistry of bimetallic nanostructures Bimetallic Nanostructures: Shape-Controlled Synthesis for Catalysis, Plasmonics and Sensing Applications is an excellent source or reference for researchers and advanced students. Academic researchers in nanoscience, nanocatalysis, and surface plasmonics, and those working in industry in areas involving nanotechnology, catalysis and optoelectronics, will find this book of interest.
Download or read book Alkene Polymerization Reactions with Transition Metal Catalysts written by Yury Kissin and published by Elsevier. This book was released on 2008-03-10 with total page 607 pages. Available in PDF, EPUB and Kindle. Book excerpt: During the past 30 years, the field of alkene polymerization over transition metal catalysts underwent several major changes:1. The list of commercial heterogeneous Ziegler-Natta catalysts for the synthesis of polyethylene and stereoregular polyolefins was completely renewed affording an unprecedented degree of control over the polymer structure.2. Research devoted to metallocene and other soluble transition-metal catalysis has vastly expanded and has shifted toward complexes of transition metals with multidentate ligands.3. Recent developments in gel permeation chromatography, temperature-rising fractionation, and crystallization fractionation provided the first reliable information about differences between various active centers in transition-metal catalysts.4. A rapid development of high-resolution 13C NMR spectroscopy resulted in greatly expanded understanding of the chemical and steric features of polyolefins and alkene copolymers. These developments require a new review of all aspects of alkene polymerization reactions with transition-metal catalysts. The first chapter in the book is an introductory text for researchers who are entering the field. It describes the basic principles of polymerization reactions with transition-metal catalysts, the types of catalysts, and commercially manufactured polyolefins. The next chapter addresses the principal issue of alkene polymerization catalysis: the existence of catalyst systems with single and multiple types of active centers. The subsequent chapters are devoted to chemistry and stereochemistry of elemental reaction steps, structures of catalyst precursors and reactions leading to the formation of active centers, kinetics of polymerization reactions, and their mechanisms.The book describes the latest commercial polymerization catalysts for the synthesis of polyethylenes and polypropylene The book provides a detailed description of the multi-center nature of commercial Ziegler-Natta catalysts. The book devotes specialized chapters to the most important aspects of transition metal polymerization catalysts: the reactions leading to the formation of active centers, the chemistry and stereochemistry of elemental polymerization steps, reaction kinetics, and the polymerization mechanism. The book contains an introductory chapter for researchers who are entering the field of polymerization catalysis. It describes the basic principles of polymerization reactions with transition-metal catalysts and the types of commercially manufactured polyolefins and copolymersThe book contains over 2000 references, the most recent up to end of 2006.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nanoferroics written by M.D. Glinchuk and published by Springer Science & Business Media. This book was released on 2013-05-13 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the physical properties of nanosized ferroics, also called nanoferroics. Nanoferroics are an important class of ceramic materials that substitute conventional ceramic ferroics in modern electronic devices. They include ferroelectric, ferroelastic, magnetic and multiferroic nanostructured materials. The phase transitions and properties of these nanostructured ferroics are strongly affected by the geometric confinement originating from surfaces and interfaces. As a consequence, these materials exhibit a behavior different from the corresponding bulk crystalline, ceramic and powder ferroics. This monograph offers comprehensive coverage of size- and shape-dependent effects at the nanoscale; the specific properties that these materials have been shown to exhibit; the theoretical approaches that have been successful in describing the size-dependent effects observed experimentally; and the technological aspects of many chemical and physico-chemical nanofabrication methods relevant to making nanoferroic materials and composites. The book will be of interest to an audience of condensed matter physicists, material scientists and engineers, working on ferroic nanostructured materials, their fundamentals, fabrication and device applications.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1985 with total page 664 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nanomaterials Design for Sensing Applications written by Olena V. Zenkina and published by Elsevier. This book was released on 2019-03-13 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanomaterials Design for Sensing Applications examines chemosensors, beginning with molecules that are able to respond to certain stimuli and then showing their assembly and incorporation into sensing materials. The mechanisms of their action for the detection of ions, specific molecules and biostructures, are also covered. A major theme is the affordability of sensors, with particular attention paid to inexpensive and reliable colorimetric sensors that can be read by the naked eye. The book also delves into the development of sensors that utilize existing RFID infrastructure and introduces a novel strategy for the development of self-healing sensing platforms. This book will help readers develop a better understanding of the types of materials used for sensing at the nano level, while also providing an insightful overview on recent advances in this important area. - Demonstrates how the use of nanomaterials allows for the creation of cheaper, more reliable sensors - Shows how metal oxide nanostructures are used as both sensors and supports for embedded organic and organometallic sensing molecules - Explores a novel sensing methodology resulting from the integration of nanostructured sensors into radio frequency identification tags
Download or read book ERDA Energy Research Abstracts written by and published by . This book was released on 1985 with total page 676 pages. Available in PDF, EPUB and Kindle. Book excerpt:
