Single-atom catalysts (SACs) with high activity, unique selectivity, and nearly 100% atom utilization efficiency are promising for broad applications in many fields. This review aims to provide a summary of the current development of SACs and point out their challenges and opportunities for commercial applications in the energy process. The discussion starts with an introduction of various types of SACs materials, followed by typical SACs synthetic methods with concrete examples and commonly used characterization methods. The state-of-the-art synthesis methods, whereby SACs with stabilized single metal atoms on the substrate without migration and agglomeration could be obtained, are emphasized. Next, we give an overview of different types of substrates and discuss the effects of substrate species on the structure and properties of SACs. Then we highlight the typical applications of SACs and the remaining challenges. Finally, a perspective on the opportunities for the development of SACs for future commercial applications is provided.

Single Atom Catalysts: Design, Synthesis, Characterization, and Applications in Energy focuses on the synthesis, design and advanced characterization techniques for single atom catalyst materials and their direct energy conversion and storage applications. This book reviews emerging applications of single atom catalysts in fuel cells, batteries, water splitting, carbon dioxide reduction, and nitrogen fixation. Both noble metal and non-noble metal single atom catalysts (SACs) are discussed as noble metal-based SACs are highly efficient and non-noble metal-based SACs might have lower associated costs. There is an emphasis on materials design focused on improving performance of catalysts based on overall catalytic activity, selectivity and stability. Specific parameters that impact this performance are emphasized throughout the book, including single metal atom stabilization, metal-support interactions and the coordination environment. - Discusses the different intricate design and synthesis methods pertaining to various noble and non-noble metal-based SACs - Provides in-depth understanding about the structural, morphological, and physicochemical characterization techniques of synthesized SACs with data analysis and interpretation - Describes state-of-the-art applications of SACs in renewable energy generation and their conversion, storage, and associated challenges

Presents state-of-the-art knowledge of heterogeneous catalysts including new applications in energy and environmental fields This book focuses on emerging techniques in heterogeneous catalysis, from new methodology for catalysts design and synthesis, surface studies and operando spectroscopies, ab initio techniques, to critical catalytic systems as relevant to energy and the environment. It provides the vision of addressing the foreseeable knowledge gap unfilled by classical knowledge in the field. Heterogeneous Catalysts: Advanced Design, Characterization and Applications begins with an overview on the evolution in catalysts synthesis and introduces readers to facets engineering on catalysts; electrochemical synthesis of nanostructured catalytic thin films; and bandgap engineering of semiconductor photocatalysts. Next, it examines how we are gaining a more precise understanding of catalytic events and materials under working conditions. It covers bridging pressure gap in surface catalytic studies; tomography in catalysts design; and resolving catalyst performance at nanoscale via fluorescence microscopy. Quantum approaches to predicting molecular reactions on catalytic surfaces follows that, along with chapters on Density Functional Theory in heterogeneous catalysis; first principles simulation of electrified interfaces in electrochemistry; and high-throughput computational design of novel catalytic materials. The book also discusses embracing the energy and environmental challenges of the 21st century through heterogeneous catalysis and much more. Presents recent developments in heterogeneous catalysis with emphasis on new fundamentals and emerging techniques Offers a comprehensive look at the important aspects of heterogeneous catalysis Provides an applications-oriented, bottoms-up approach to a high-interest subject that plays a vital role in industry and is widely applied in areas related to energy and environment Heterogeneous Catalysts: Advanced Design, Characterization and Applications is an important book for catalytic chemists, materials scientists, surface chemists, physical chemists, inorganic chemists, chemical engineers, and other professionals working in the chemical industry.

b”Supported Metal Single Atom CatalysisCovers all key aspects of supported metal single atom catalysts, an invaluable resource for academic researchers and industry professionals alike Single atom catalysis is one of the most innovative and dynamic research areas in catalysis science. Supported metal catalysts are used extensively across the chemical industry, ranging from fine and bulk chemical production to petrochemicals. Single atom catalysts (SACs) combine the advantages of both homogeneous and heterogeneous catalysts such as catalyst stability, activity, and high dispersion of the active phase. Supported Metal Single Atom Catalysis provides an authoritative and up-to-date overview of the emerging field, covering the synthesis, preparation, characterization, modeling, and applications of SACs. This comprehensive volume introduces the basic principles of single atom catalysis, describes metal oxide and carbon support materials for SAC preparation, presents characterization techniques and theoretical calculations, and discusses SACs in areas including selective hydrogenation, oxidation reactions, activation of small molecules, C-C bond formation, and biomedical applications. Highlights the activity, selectivity, and stability advantages of supported metal SACs compared to other heterogeneous catalysts Covers applications of SACs in thermal catalysis, electrocatalysis, and photocatalysis Includes chapters on single atom alloys and supported double and triple metal atom catalysts Discusses the prospects, challenges, and potential industrial applications of SACs Supported Metal Single Atom Catalysis is an indispensable reference for all those working in the fields of catalysis, solid-state chemistry, materials science, and spectroscopy, including catalytic chemists, organic chemists, electrochemists, theoretical chemists, and industrial chemists.

Now in it's 3rd Edition, Industrial Catalysis offers all relevant information on catalytic processes in industry, including many recent examples. Perfectly suited for self-study, it is the ideal companion for scientists who want to get into the field or refresh existing knowledge. The updated edition covers the full range of industrial aspects, from catalyst development and testing to process examples and catalyst recycling. The book is characterized by its practical relevance, expressed by a selection of over 40 examples of catalytic processes in industry. In addition, new chapters on catalytic processes with renewable materials and polymerization catalysis have been included. Existing chapters have been carefully revised and supported by new subchapters, for example, on metathesis reactions, refinery processes, petrochemistry and new reactor concepts. "I found the book accesible, readable and interesting - both as a refresher and as an introduction to new topics - and a convenient first reference on current industrial catalytic practise and processes." Excerpt from a book review for the second edition by P. C. H. Mitchell, Applied Organometallic Chemistry (2007)

To meet ever-growing energy demands while transitioning towards a more sustainable energy economy, novel materials are required. Single-atom catalysts have emerged as promising materials that offer to maximize atomic efficiency while also offering unique chemical advantages over their conventional nanoparticle counterparts. Despite notable successes since they were first discovered in 2010, many challenges still face these novel materials before they may become a commercially viable alternative to conventional catalysts. Although recent advancements in characterization techniques and synthesis methods have greatly accelerated the advancement of these materials, the atomic nature of single atoms sites prohibits detailed understanding of these materials. To help unravel the mysteries of these materials, computational models have emerged as a critical component for understanding these materials and guiding catalyst design. In this dissertation, we utilize first-principles calculations in conjunction with mean-field microkinetic modeling to elucidate atomic-scale insights into single-atom catalysts. These investigations include material screening to identify supporting materials that can stabilize high-density single atoms at catalytically relevant conditions, detailed mechanistic studies to elucidate active site structures under complex electrochemical environments, and identifying structural and chemical properties to tailor the catalytic performance of single-atom catalysts. Throughout this work, we seek to bridge the nanoscale properties derived from atomistic models with macroscopic observables obtained in experiments. To do this, we strive to develop comprehensive reaction networks while being cognizant of coverage effects from reaction intermediates and the reaction environment. Importantly, we also utilize microkinetic modeling to facilitate direct comparisons between theory and experiments. These principles enable us to deliver accurate computational predictions for guiding the rational design and discovery of novel materials for catalytic applications.

This long-awaited reference source is the first book to focus on this important and hot topic. As such, it provides examples from a wide array of fields where catalyst design has been based on new insights and understanding, presenting such modern and important topics as self-assembly, nature-inspired catalysis, nano-scale architecture of surfaces and theoretical methods. With its inclusion of all the useful and powerful tools for the rational design of catalysts, this is a true "must have" book for every researcher in the field.

Graphdiyne Discover the most cutting-edge developments in the study of graphdiyne from a pioneer of the field In Graphdiyne: Fundamentals and Applications in Renewable Energy and Electronics, accomplished chemist Dr. Yuliang Li delivers a practical and insightful compilation of theoretical and experimental developments in the study of graphdiyne. Of interest to both academics and industrial researchers in the fields of nanoscience, organic chemistry, carbon science, and renewable energies, the book systematically summarizes recent research into the exciting new material. Discover information about the properties of graphdiyne through theoretical simulations and experimental characterizations, as well as the development of graphdiyne with appropriate preparation technology. Learn to create new graphdiyne-based materials and better understand its intrinsic properties. Find out about synthetic methodologies, the controlled growth of aggregated state structures, and structural characterization. In addition to demonstrating the interdisciplinary potential and relevance of graphdiyne, the book also offers readers: A thorough introduction to basic structure and band gap engineering, including molecular and electronic structure, mechanical properties, and the layers structure of bulk graphdiyne Explorations of Graphdiyne synthesis and characterization, including films, nanotube arrays and nanowires, nanowalls, and nanosheets, as well as characterization methods Discussions of the functionalization of graphdiyne, including heteroatom doping, metal decoration, and absorption of guest molecules Rigorous treatments of Graphdiyne-based materials in catalytic applications, including photo- and electrocatalysts Perfect for organic chemists, electronics engineers, materials scientists, and physicists, Graphdiyne: Fundamentals and Applications in Renewable Energy and Electronics will also find its place on the bookshelves of surface and solid-state chemists, electrochemists, and catalytic chemists seeking a one-stop reference on this rising-star carbon material.

Monoelemental 2D materials called Xenes have a graphene-like structure, intra-layer covalent bond, and weak van der Waals forces between layers. Materials composed of different groups of elements have different structures and rich properties, making Xenes materials a potential candidate for the next generation of 2D materials. 2D Monoelemental Materials (Xenes) and Related Technologies: Beyond Graphene describes the structure, properties, and applications of Xenes by classification and section. The first section covers the structure and classification of single-element 2D materials, according to the different main groups of monoelemental materials of different components and includes the properties and applications with detailed description. The second section discusses the structure, properties, and applications of advanced 2D Xenes materials, which are composed of heterogeneous structures, produced by defects, and regulated by the field. Features include: Systematically detailed single element materials according to the main groups of the constituent elements Classification of the most effective and widely studied 2D Xenes materials Expounding upon changes in properties and improvements in applications by different regulation mechanisms Discussion of the significance of 2D single-element materials where structural characteristics are closely combined with different preparation methods and the relevant theoretical properties complement each other with practical applications Aimed at researchers and advanced students in materials science and engineering, this book offers a broad view of current knowledge in the emerging and promising field of 2D monoelemental materials.

Fundamentals and applications of single-atom catalysts Over the last five years, tremendous advances have been made in heterogeneous catalysis. In particular, catalysts' design from the bulk to single-atom scale (0.1-0.9 nm), with desirable active sites, has received great attention in current catalysis research with the aim to fill the gap between homogeneous and heterogeneous catalysis. This volume focuses on applications of single-atom catalysts. Articles describe principles of single-atom catalysts as well as applications in biomass conversion, water purification, CO2 upgrading, and other specific reactions. Readers will find examples of catalysts designed to be tunable for specific outcomes, inspiring their research. Scientists and engineers in chemistry, materials science, nanotechnology, and chemical engineering will find this volume useful.