To fulfill the needs for developing the alternative energy technologies, searching for the adequate electrode materials which catalyze the electrochemical reactions utilized in devices such as fuel cell, Li-ion batteries, and related applications such as hydrogen generation and storage, has been a longstanding challenge. Among various catalysts, transition metal oxides (TMO) draw great attentions due to their low-cost, high stability, and, most importantly, a great variety of structures and electrical properties. Nonetheless, studying electrochemical reactions catalyzed by TMO is a challenging task due to the possible multivalent systems, flexible coordinations of lattice atoms, adjustable surface structures and diverse surface species. In the past decades, many innovative approaches have been explored with encouraging results; however, the mechanisms of incorporating the bulk/surface TMO structures in various chemical reactions still remain unclear. In this dissertation, using quantum mechanical calculations, we attempt to improve the fundamental understandings of how structures and electronic properties of TMO materials facilitate the electrochemical reactions of interest. To identify the possible causes for CuO and Cu structures having different selectivity in catalysis, in Chapter 3, we study the CO2 reduction reaction (CO2RR) catalyzed by CuO (111) surface structure, and compare the results with the more widely studied Cu (100) surface. The roles played by the electronic properties of two materials in their selectivity are elucidated. In Chapter 4 and 5, we study the oxygen evolution reaction (OER) for LiCoO2 surface structure. The structures and stabilities of Li-, O-, and H-terminated surface are investigated comprehensively. Based on the results, the formation of H-terminated surface results from Li/H exchange at the solid/liquid interface is proposed (Chapter 4). Along with the findings, we explore the possible mechanisms for the OER for non-metal terminated LiCoO2 surface (Chapter 5). In Chapter 6, we study the oxygen reduction reaction (ORR) for Co3O4 (111) H-terminated surface structure. The possible reaction steps for both four-electron and two-electron pathway are investigated. In Chapter 7, the PO4-decicient LiFePO4/FePO4 structures are investigated to understand how the presence of polyanion defects in the matrices could potentially improve the performance of the materials as electrodes in Li-ion batteries

This book addresses some essential topics in the science of energy converting devices emphasizing recent aspects of nano-derived materials in the application for the protection of the environment, storage, and energy conversion. The aim, therefore, is to provide the basic background knowledge. The electron transfer process and structure of the electric double layer and the interaction of species with surfaces and the interaction, reinforced by DFT theory for the current and incoming generation of fuel cell scientists to study the interaction of the catalytic centers with their supports. The chief focus of the chapters is on materials based on precious and non-precious centers for the hydrogen electrode, the oxygen electrode, energy storage, and in remediation applications, where the common issue is the rate-determining step in multi-electron charge transfer processes in electrocatalysis. These approaches are used in a large extent in science and technology, so that each chapter demonstrates the connection of electrochemistry, in addition to chemistry, with different areas, namely, surface science, biochemistry, chemical engineering, and chemical physics.

Metal Oxides in Heterogeneous Catalysis is an overview of the past, present and future of heterogeneous catalysis using metal oxides catalysts. The book presents the historical, theoretical, and practical aspects of metal oxide-based heterogeneous catalysis. Metal Oxides in Heterogeneous Catalysis deals with fundamental information on heterogeneous catalysis, including reaction mechanisms and kinetics approaches.There is also a focus on the classification of metal oxides used as catalysts, preparation methods and touches on zeolites, mesoporous materials and Metal-organic frameworks (MOFs) in catalysis. It will touch on acid or base-type reactions, selective (partial) and total oxidation reactions, and enzymatic type reactions The book also touches heavily on the biomass applications of metal oxide catalysts and environmentally related/depollution reactions such as COVs elimination, DeNOx, and DeSOx. Finally, the book also deals with future trends and prospects in metal oxide-based heterogeneous catalysis. Presents case studies in each chapter that provide a focus on the industrial applications Includes fundamentals, key theories and practical applications of metal oxide-based heterogeneous catalysis in one comprehensive resource Edited, and contributed, by leading experts who provide perspectives on synthesis, characterization and applications

Electrochemical Power Sources: Fundamentals, Systems, and Applications: Hydrogen Production by Water Electrolysis offers a comprehensive overview about different hydrogen production technologies, including their technical features, development stage, recent advances, and technical and economic issues of system integration. Allied processes such as regenerative fuel cells and sea water electrolysis are also covered. For many years hydrogen production by water electrolysis was of minor importance, but research and development in the field has increased significantly in recent years, and a comprehensive overview is missing. This book bridges this gap and provides a general reference to the topic. Hydrogen production by water electrolysis is the main technology to integrate high shares of electricity from renewable energy sources and balance out the supply and demand match in the energy system. Different electrochemical approaches exist to produce hydrogen from RES (Renewable Energy Sources). Covers the fundamentals of hydrogen production by water electrolysis Reviews all relevant technologies comprehensively Outlines important technical and economic issues of system integration Includes commercial examples and demonstrates electrolyzer projects

This book concentrates on the electrochemistry/environment relationship including, among others, chapters on design and operation of electrochemical reactors and separators, process simulation, development and scale-up, optimization and control of electrochemical processes applied to environmental problems, also including economic analysis, description of unique current and future applications, in addition to basic research into developing new technologies. It is hoped that this volume will be considered interesting and extremely timely to specialists in electrochemistry and environmental sciences.

Ellipsometry is a powerful tool used for the characterization of thin films and multi-layer semiconductor structures. This book deals with fundamental principles and applications of spectroscopic ellipsometry (SE). Beginning with an overview of SE technologies the text moves on to focus on the data analysis of results obtained from SE, Fundamental data analyses, principles and physical backgrounds and the various materials used in different fields from LSI industry to biotechnology are described. The final chapter describes the latest developments of real-time monitoring and process control which have attracted significant attention in various scientific and industrial fields.