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DFT-Based Studies On Atomic Clusters
DFT-Based Studies On Atomic Clusters explores the structures, properties, and applications of a variety of atomic clusters using density functional theory (DFT) methods to offer a simple and comprehensive explanation of the subject. The book is organized into seven chapters. Chapter 1 introduces atomic clusters and provides a quick survey of density functional theory and its role in the study of atomic clusters. Chapter 2 discusses the optimization of atomic clusters using various algorithms. Chapters 3, 4, and 5 cover the applications of DFT methods on chemical interactions involving metal complexes and ions. Chapter 6 is devoted exclusively to molecular clusters for completeness. Chapter 7...
Young Miles
IT ISN'T EASY, BEINGVOR... Being a Vor lord on the war-torn planetBarrayar wasn't easy. Being an officer in Barrayar's military wasn't easy. Andbeing the leader of a force of spaceborne mercenaries w
Indian Cases
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Nanozymes: Next Wave of Artificial Enzymes
This book describes the fundamental concepts, the latest developments and the outlook of the field of nanozymes (i.e., the catalytic nanomaterials with enzymatic characteristics). As one of today’s most exciting fields, nanozyme research lies at the interface of chemistry, biology, materials science and nanotechnology. Each of the book’s six chapters explores advances in nanozymes. Following an introduction to the rise of nanozymes research in the course of research on natural enzymes and artificial enzymes in Chapter 1, Chapters 2 through 5 discuss different nanomaterials used to mimic various natural enzymes, from carbon-based and metal-based nanomaterials to metal oxide-based nanomate...
CO2 Separation, Purification and Conversion to Chemicals and Fuels
This book presents the recent research on the separation, purification and downstream utilization of CO2 and other flue gases. Chapters include a detailed discussion on the purification and further conversion of CO2 to commodity chemicals and fuels. With contributions from renowned researchers in the field, the book focuses on the current challenges of catalytic high-pressure chemical conversion and biochemical conversion into high-value products. This book is of interest to researchers, professionals, and students working on carbon capture and sequestration, and is a valuable resource for policy makers and government agents working on guidelines and frameworks for carbon capture and reuse.
Plasma Catalysis
Plasma catalysis is gaining increasing interest for various gas conversion applications, such as CO2 conversion into value-added chemicals and fuels, N2 fixation for the synthesis of NH3 or NOx, methane conversion into higher hydrocarbons or oxygenates. It is also widely used for air pollution control (e.g., VOC remediation). Plasma catalysis allows thermodynamically difficult reactions to proceed at ambient pressure and temperature, due to activation of the gas molecules by energetic electrons created in the plasma. However, plasma is very reactive but not selective, and thus a catalyst is needed to improve the selectivity. In spite of the growing interest in plasma catalysis, the underlying mechanisms of the (possible) synergy between plasma and catalyst are not yet fully understood. Indeed, plasma catalysis is quite complicated, as the plasma will affect the catalyst and vice versa. Moreover, due to the reactive plasma environment, the most suitable catalysts will probably be different from thermal catalysts. More research is needed to better understand the plasma–catalyst interactions, in order to further improve the applications.
