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Computational Catalysis
This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.
Oxide Materials at the Two-Dimensional Limit
This book summarizes the current knowledge of two-dimensional oxide materials. The fundamental properties of 2-D oxide systems are explored in terms of atomic structure, electronic behavior and surface chemistry. The concept of polarity in determining the stability of 2-D oxide layers is examined, charge transfer effects in ultrathin oxide films are reviewed as well as the role of defects in 2-D oxide films. The novel structure concepts that apply in oxide systems of low dimensionality are addressed, and a chapter giving an overview of state-of-the-art theoretical methods for electronic structure determination of nanostructured oxides is included. Special emphasis is given to a balanced view from the experimental and the theoretical side. Two-dimensional materials, and 2-D oxides in particular, have outstanding behavior due to dimensionality and proximity effects. Several chapters treat prototypical model systems as illustrative examples to discuss the peculiar physical and chemical properties of 2-D oxide systems. The chapters are written by renowned experts in the field.
Density Functional Theory
Density Functional Theory A concise and rigorous introduction to the applications of DFT calculations In the newly revised second edition of Density Functional Theory: A Practical Introduction, the authors deliver a concise and easy-to-follow introduction to the key concepts and practical applications of density functional theory (DFT) with an emphasis on plane-wave DFT. The authors draw on decades of experience in the field, offering students from a variety of backgrounds a balanced approach between accessibility and rigor, creating a text that is highly digestible in its entirety. This new edition: Discusses in more detail the accuracy of DFT calculations and the choice of functionals Adds...
Chemical Engineering Faculty Directory
This up-to-date faculty directory lists the contact information of all the faculty members, placement administrators, and student organizations of almost 500 worldwide universities and technical institutes offering chemical engineering curricula. This offers a comprehensive reference tool that is unique and valuable, in that there is no such directory available on chemical engineering. The indices make it easy to find the current affiliation of any chemical, biological and environmental engineering faculty by listing in alphabetical order.
Progress in Biological Chirality
Following on from Advances in BioChirality, Progress in Biological Chirality provides a unique summary and review of the most recent developments in the field of biochirality. Living organisms use only one enantiomer of chiral molecules in the majority of biologically important processes. The exact origin and mechanisms for this surprising selectivity are not yet known. This book discusses current research aimed at identifying the scientific reasons that may contribute to this phenomenon. Progress in Biological Chirality takes an interdisciplinary approach to this exciting field, covering a wide range of topics, such as, theory, palaeontology and food technology, to name but a few. This book...
Handbook of Graphene, Volume 5
The fifth volume in a series of handbooks on graphene research and applications Graphene is a valuable nanomaterial used in technology. The Handbook of Graphene: Graphene in Energy, Healthcare, and Environmental Applications is the fifth volume in the handbook series. The book's topics include: graphene nanomaterials in energy and environment applications and graphene used as nanolubricant. Within the handbook, three-dimensional graphene materials are discussed, as are synthesis and applications in electrocatalysts and electrochemical sensors. The battery topics cover: graphene and graphene-based hybrid composites for advanced rechargeable battery electrodes; graphene-based materials for advanced lithium-ion batteries; graphene-based materials for supercapacitors and conductive additives of lithium ion batteries. The book's graphene-based sensor information addresses flexible actuators, sensors, and supercapacitors.
Nanostructured Multifunctional Materials
The development of nanomaterials plays a fundamental role in current and future technology applications, particularly nanomaterials that have multiple functionalities. This book provides a broad overview of the effect of nanostructuring in the multifunctionality of different widely studied nanomaterials. This book is divided into four sections constituting a road map that groups materials sharing certain types of nanostructuring, including nanoporous, nanoparticled, 2D laminar nanomaterials, and computational methods for characterizations of nanostructures. This structured approach in nanomaterials research will serve as a valuable reference material for chemists, (bio)engineers, physicists, nanotechnologists, undergraduates, and professors.
Electrode Materials for Energy Storage and Conversion
This book provides a comprehensive overview of the latest developments and materials used in electrochemical energy storage and conversion devices, including lithium-ion batteries, sodium-ion batteries, zinc-ion batteries, supercapacitors and conversion materials for solar and fuel cells. Chapters introduce the technologies behind each material, in addition to the fundamental principles of the devices, and their wider impact and contribution to the field. This book will be an ideal reference for researchers and individuals working in industries based on energy storage and conversion technologies across physics, chemistry and engineering. FEATURES Edited by established authorities, with chapt...
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