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Author: Stefan T. Bromley
Publisher: CRC Press
ISBN: 1466576448
Category : Science
Languages : en
Pages : 429
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Book Description
Computational Modeling of Inorganic Nanomaterials provides an accessible, unified introduction to a variety of methods for modeling inorganic materials as their dimensions approach the nanoscale. With contributions from a team of international experts, the book guides readers on choosing the most appropriate models and methods for studying the stru
Author: Stefan T. Bromley
Publisher: CRC Press
ISBN: 1466576448
Category : Science
Languages : en
Pages : 429
Get Book Here
Book Description
Computational Modeling of Inorganic Nanomaterials provides an accessible, unified introduction to a variety of methods for modeling inorganic materials as their dimensions approach the nanoscale. With contributions from a team of international experts, the book guides readers on choosing the most appropriate models and methods for studying the stru
Author: Stefan T. Bromley
Publisher: Elsevier
ISBN: 0081022751
Category : Science
Languages : en
Pages : 354
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Book Description
Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties. This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research. - Explores how computational modelling can be successfully applied at the nanoscale level - Includes techniques for the computation modelling of different types of nanoclusters, including nanoalloy clusters, fullerines and Ligated and/or solvated nanoclusters - Offers complete coverage of the use of computational modelling at the nanoscale, from characterization and processing, to applications
Author: Julia Pérez Prieto
Publisher: Elsevier
ISBN: 9780128145319
Category : Technology & Engineering
Languages : en
Pages : 0
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Book Description
Nanoparticles are usually designed for specific applications and selection of the most convenient capping can be a complex task, but is crucial for successful design. In this volume, the authors discuss the selection of functional cappings to coat nanoparticles in a range of different applications. The opening chapter provides an understanding of basic aspects of surface chemistry at the nanoscale. Each following chapter covers a particular kind of capping, beginning with a basic introduction and describing characteristics such as structure, functionality, solubility, (photo)physics, and toxicity. Special emphasis is placed on how important these specific features are in the preparation of smart nanomaterials. In-depth explanations and examples are then presented, highlighting the latest results and cutting-edge research carried out with the selected capping according to the kind of nanoparticle employed (such as rare-earth doped, semiconducting, and metallic). An additional chapter focusses on computational techniques for modelling nanosurfaces. Photoactive Inorganic Nanoparticles: Surface Composition and its Role in Nanosystem Functionality will be a valuable working resource for graduate students, researchers, and industry R&D professionals working in the field of applied nanomaterials.
Author: Panagiotis Grammatikopoulos
Publisher: Elsevier
ISBN: 0128214988
Category : Technology & Engineering
Languages : en
Pages : 246
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Book Description
Due to their small size and their dependence on very fast phenomena, nanomaterials are ideal systems for computational modelling. This book provides an overview of various nanosystems classified by their dimensions: 0D (nanoparticles, QDs, etc.), 1D (nanowires, nanotubes), 2D (thin films, graphene, etc.), 3D (nanostructured bulk materials, devices). Fractal dimensions, such as nanoparticle agglomerates, percolating films and combinations of materials of different dimensionalities are also covered (e.g. epitaxial decoration of nanowires by nanoparticles, i.e. 0D+1D nanomaterials). For each class, the focus will be on growth, structure, and physical/chemical properties. The book presents a broad range of techniques, including density functional theory, molecular dynamics, non-equilibrium molecular dynamics, finite element modelling (FEM), numerical modelling and meso-scale modelling. The focus is on each method's relevance and suitability for the study of materials and phenomena in the nanoscale. This book is an important resource for understanding the mechanisms behind basic properties of nanomaterials, and the major techniques for computational modelling of nanomaterials. - Explores the major modelling techniques used for different classes of nanomaterial - Assesses the best modelling technique to use for each different type of nanomaterials - Discusses the challenges of using certain modelling techniques with specific nanomaterials
Author: Julia Pérez Prieto
Publisher: Elsevier
ISBN: 0128145323
Category : Technology & Engineering
Languages : en
Pages : 286
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Book Description
Nanoparticles are usually designed for specific applications and selection of the most convenient capping can be a complex task, but is crucial for successful design. In this volume, the authors discuss the selection of functional cappings to coat nanoparticles in a range of different applications. The opening chapter provides an understanding of basic aspects of surface chemistry at the nanoscale. Each following chapter covers a particular kind of capping, beginning with a basic introduction and describing characteristics such as structure, functionality, solubility, (photo)physics, and toxicity. Special emphasis is placed on how important these specific features are in the preparation of smart nanomaterials. In-depth explanations and examples are then presented, highlighting the latest results and cutting-edge research carried out with the selected capping according to the kind of nanoparticle employed (such as rare-earth doped, semiconducting, and metallic). An additional chapter focusses on computational techniques for modelling nanosurfaces. Photoactive Inorganic Nanoparticles: Surface Composition and its Role in Nanosystem Functionality will be a valuable working resource for graduate students, researchers, and industry R&D professionals working in the field of applied nanomaterials. - Aids selection of the best functional cappings for particular applications - Covers a broad range of application areas, including medical, biological and materials science - Provides material on computational techniques for modeling nanosurfaces
Author: Ihsan Boustani
Publisher: Springer Nature
ISBN: 3030327264
Category : Technology & Engineering
Languages : en
Pages : 598
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Book Description
This book presents nanomaterials as predicted by computational modelling and numerical simulation tools, and confirmed by modern experimental techniques. It begins by summarizing basic theoretical methods, then giving both a theoretical and experimental treatment of how alkali metal clusters develop into nanostructures, as influenced by the cluster's "magic number" of atoms. The book continues with a discussion of atomic clusters and nanostructures, focusing primarily on boron and carbon, exploring, in detail, the one-, two-, and three-dimensional structures of boron and carbon, and describing their myriad potential applications in nanotechnology, from nanocoating and nanosensing to nanobatteries with high borophene capacity. The broad discussion of computational modelling as well as the specific applications to boron and carbon, make this book an essential reference resource for materials scientists in this field of research.
Author: John N. Lalena
Publisher: John Wiley & Sons
ISBN: 0471714887
Category : Technology & Engineering
Languages : en
Pages : 440
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Book Description
A unique interdisciplinary approach to inorganic materialsdesign Textbooks intended for the training of chemists in the inorganicmaterials field often omit many relevant topics. With itsinterdisciplinary approach, this book fills that gap by presentingconcepts from chemistry, physics, materials science, metallurgy,and ceramics in a unified treatment targeted towards the chemistryaudience. Semiconductors, metal alloys and intermetallics, as wellas ceramic substances are covered. Accordingly, the book shouldalso be useful to students and working professionals in a varietyof other disciplines. This book discusses a number of topics that are pertinent to thedesign of new inorganic materials but are typically not covered instandard solid-state chemistry books. The authors start with anintroduction to structure at the mesoscopic level and progress tosmaller-length scales. Next, detailed consideration is given toboth phenomenological and atomistic-level descriptions of transportproperties, the metal-nonmetal transition, magnetic and dielectricproperties, optical properties, and mechanical properties. Finally,the authors present introductions to phase equilibria, synthesis,and nanomaterials. Other features include: * Worked examples demonstrating concepts unfamiliar to thechemist * Extensive references to related literature, leading readers tomore in-depth coverage of particular topics * Biographies introducing the reader to great contributors to thefield of inorganic materials science in the twentieth century With their interdisciplinary approach, the authors have set thegroundwork for communication and understanding among professionalsin varied disciplines who are involved with inorganic materialsengineering. Armed with this publication, students and researchersin inorganic and physical chemistry, physics, materials science,and engineering will be better equipped to face today's complexdesign challenges. This textbook is appropriate for senior-levelundergraduate and graduate course work.
Author: Agnieszka Gajewicz
Publisher: CRC Press
ISBN: 1000681424
Category : Medical
Languages : en
Pages : 307
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Book Description
The development of computational methods that support human health and environmental risk assessment of engineered nanomaterials has attracted great interest because the application of these methods enables us to fill existing experimental data gaps. However, considering the high degree of complexity and multifunctionality of engineered nanoparticles, computational methods originally developed for regular (i.e., classic) chemicals cannot always be applied explicitly in nanotoxicology. Thus, the main idea of this book is to discuss the current state of the art and future needs in the development of computational modeling techniques for nanotoxicology. The book focuses on methodology. Among various in silico techniques, special attention is given to (i) computational chemistry (quantum mechanics, semi-empirical methods, density functional theory, molecular mechanics, molecular dynamics); (ii) nanochemoinformatic methods (quantitative structure–activity relationship modeling, grouping, read-across); and (iii) nanobioinformatic methods (genomics, transcriptomics, proteomics, metabolomics).
Author: Klaus D. Sattler
Publisher: CRC Press
ISBN: 149876388X
Category : Science
Languages : en
Pages : 683
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Book Description
This comprehensive tutorial guide to silicon nanomaterials spans from fundamental properties, growth mechanisms, and processing of nanosilicon to electronic device, energy conversion and storage, biomedical, and environmental applications. It also presents core knowledge with basic mathematical equations, tables, and graphs in order to provide the reader with the tools necessary to understand the latest technology developments. From low-dimensional structures, quantum dots, and nanowires to hybrid materials, arrays, networks, and biomedical applications, this Sourcebook is a complete resource for anyone working with this materials: Covers fundamental concepts, properties, methods, and practical applications. Focuses on one important type of silicon nanomaterial in every chapter. Discusses formation, properties, and applications for each material. Written in a tutorial style with basic equations and fundamentals included in an extended introduction. Highlights materials that show exceptional properties as well as strong prospects for future applications. Klaus D. Sattler is professor physics at the University of Hawaii, Honolulu, having earned his PhD at the Swiss Federal Institute of Technology (ETH) in Zurich. He was honored with the Walter Schottky Prize from the German Physical Society, and is the editor of the sister work also published by Taylor & Francis, Carbon Nanomaterials Sourcebook, as well as the acclaimed multi-volume Handbook of Nanophysics.
Author: Management Association, Information Resources
Publisher: IGI Global
ISBN: 1799887367
Category : Technology & Engineering
Languages : en
Pages : 1917
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Book Description
The use of nanotechnologies continues to grow, as nanomaterials have proven their versatility and use in many different fields and industries within the scientific profession. Using nanotechnology, materials can be made lighter, more durable, more reactive, and more efficient leading nanoscale materials to enhance many everyday products and processes. With many different sizes, shapes, and internal structures, the applications are endless. These uses range from pharmaceutics to materials such as cement or cloth, electronics, environmental sustainability, and more. Therefore, there has been a recent surge of research focused on the synthesis and characterizations of these nanomaterials to better understand how they can be used, their applications, and the many different types. The Research Anthology on Synthesis, Characterization, and Applications of Nanomaterials seeks to address not only how nanomaterials are created, used, or characterized, but also to apply this knowledge to the multidimensional industries, fields, and applications of nanomaterials and nanoscience. This includes topics such as both natural and manmade nanomaterials; the size, shape, reactivity, and other essential characteristics of nanomaterials; challenges and potential effects of using nanomaterials; and the advantages of nanomaterials with multidisciplinary uses. This book is ideally designed for researchers, engineers, practitioners, industrialists, educators, strategists, policymakers, scientists, and students working in fields that include materials engineering, engineering science, nanotechnology, biotechnology, microbiology, drug design and delivery, medicine, and more.
