Computational Modeling Of Inorganic Nanomaterials

Author : Stefan T. Bromley
Publisher : CRC Press
ISBN 13 : 1466576448
Total Pages : 429 pages
Book Rating : 4.45/5 ( download)

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Download or read book Computational Modeling of Inorganic Nanomaterials written by Stefan T. Bromley and published by CRC Press. This book was released on 2016-04-06 with total page 429 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 13 : 0081022751
Total Pages : 351 pages
Book Rating : 4.57/5 ( download)

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Download or read book Computational Modelling of Nanoparticles written by Stefan T. Bromley and published by Elsevier. This book was released on 2018-09-12 with total page 351 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : Panagiotis Grammatikopoulos
Publisher : Elsevier
ISBN 13 : 0128214988
Total Pages : 244 pages
Book Rating : 4.85/5 ( download)

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Download or read book Computational Modelling of Nanomaterials written by Panagiotis Grammatikopoulos and published by Elsevier. This book was released on 2020-09-30 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 13 : 0128145323
Total Pages : 284 pages
Book Rating : 4.26/5 ( download)

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Download or read book Photoactive Inorganic Nanoparticles written by Julia Pérez Prieto and published by Elsevier. This book was released on 2019-03-09 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : Alexey V. Verkhovtsev
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.04/5 ( download)

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Download or read book Computational modeling of nanomaterials for biomedical applications written by Alexey V. Verkhovtsev and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : R. A. Evarestov
Publisher : Springer Nature
ISBN 13 : 3030429946
Total Pages : 865 pages
Book Rating : 4.42/5 ( download)

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Download or read book Theoretical Modeling of Inorganic Nanostructures written by R. A. Evarestov and published by Springer Nature. This book was released on 2020-06-10 with total page 865 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarizes the state of the art in the theoretical modeling of inorganic nanostructures. Extending the first edition, published in 2015, it presents applications to new nanostructured materials and theoretical explanations of recently discovered optical and thermodynamic properties of known nanomaterials. It discusses the developments in theoretical modeling of nanostructures, describing fundamental approaches such as symmetry analysis and applied calculation methods. The book also examines the theoretical aspects of many thermodynamic and the optical properties of nanostructures. The new edition includes additional descriptions of the theoretical modeling of nanostructures in novel materials such as the V2O5 binary oxide, ZnS, CdS, MoSSe and SnS2.

Author : H.P. Nagaswarupa
Publisher : CRC Press
ISBN 13 : 1040029418
Total Pages : 451 pages
Book Rating : 4.11/5 ( download)

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Download or read book Multifunctional Inorganic Nanomaterials for Energy Applications written by H.P. Nagaswarupa and published by CRC Press. This book was released on 2024-06-19 with total page 451 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multifunctional Inorganic Nanomaterials for Energy Applications provides deep insight into the role of multifunctional nanomaterials in the field of energy and power generation applications. It mainly focuses on the synthesis, fabrication, design, development, and optimization of novel functional inorganic nanomaterials for energy storage and saving devices. It also covers studies of inorganic electrode materials for supercapacitors, membranes for batteries and fuel cells, and materials for display systems and energy generation. Features: Explores computational and experimental methods of preparing inorganic nanomaterials and their multifunctional applications Includes synthesis and performance analysis of various functional nanomaterials for energy storage and saving applications Reviews current research directions and latest developments in the field of energy materials Discusses importance of computational techniques in designing novel nanomaterials Highlights importance of multifunctional applications of nanomaterials in the energy sector This book is aimed at graduate students and researchers in materials science, electrical engineering, and nanomaterials.

Author : Liuyang Zhang
Publisher :
ISBN 13 :
Total Pages : 360 pages
Book Rating : 4.51/5 ( download)

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Download or read book Computational Investigation of Bio/inorganic Interfaces written by Liuyang Zhang and published by . This book was released on 2016 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the field of nanotechnology, the bio/inorganic interface is of great importance when determining the physical properties of nanostructures and nanocomposites. Nanomaterials are very likely to contact with biological organisms and associated organic molecules, such as when used for drug delivery and imaging, which establishes a series of interfaces between the nanomaterials and biological systems. Until now, these factors are still difficult to be characterized from experimental work directly. To rectify this, multiscale computational modeling is adopted in this dissertation to properly determine the interfacial properties of the bio/inorganic interface under a variety of conditions. The interfacial properties between the inorganic material and polymer, biological macromolecules and cell will be systematically investigated by the computational modeling and simulation technique. Our findings will open a new avenue for computational material design and biocompatible device fabrication.

Author : Klaus D. Sattler
Publisher : CRC Press
ISBN 13 : 149876388X
Total Pages : 664 pages
Book Rating : 4.82/5 ( download)

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Download or read book Silicon Nanomaterials Sourcebook written by Klaus D. Sattler and published by CRC Press. This book was released on 2017-07-28 with total page 664 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : Oliver Diwald
Publisher : John Wiley & Sons
ISBN 13 : 1119436761
Total Pages : 903 pages
Book Rating : 4.68/5 ( download)

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Download or read book Metal Oxide Nanoparticles written by Oliver Diwald and published by John Wiley & Sons. This book was released on 2021-09-10 with total page 903 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ein umfassendes Referenzwerk für Chemiker und Industriefachleute zum Thema Nanopartikel Nanopartikel aus Metalloxid sind ein wesentlicher Bestandteil zahlreicher natürlicher und technologischer Prozesse ? von der Mineralumwandlung bis zur Elektronik. Darüber hinaus kommen Metalloxid-Nanopartikel in Pulverform im Maschinenbau, in der Elektronik und der Energietechnik zum Einsatz. Das Werk Metal Oxide Nanoparticles: Formation, Functional Properties and Interfaces stellt die wichtigsten Synthese- und Formulierungsansätze bei der Nutzung von Metalloxid-Nanopartikeln als Funktionsmaterialien vor. Es werden die üblichen Verarbeitungswege erklärt und die physikalischen und chemischen Eigenschaften der Partikel mithilfe von umfassenden und ergänzenden Charakterisierungsmethoden bewertet. Dieses Werk kann als Einführung in die Formulierung von Nanopartikeln, ihre Grenzflächenchemie und ihre funktionellen Eigenschaften im Nanobereich genutzt werden. Darüber hinaus dient es zum vertiefenden Verständnis, denn das Buch enthält detaillierte Angaben zu fortschrittlichen Methoden bei der physikalischen, chemischen, Oberflächen- und Grenzflächencharakterisierung von Metalloxid-Nanopartikeln in Pulvern und Dispersionen. *Erläuterung der Anwendung von Metalloxid-Nanopartikeln und der wirtschaftlichen Auswirkungen *Betrachtung der Partikelsynthese, einschließlich der Grundsätze ausgewählter Bottom-up-Strategien *Untersuchung der Formulierung von Nanopartikeln mit einer Auswahl von Verarbeitungs- und Anwendungswegen *Diskussion der Bedeutung von Partikeloberflächen und -grenzflächen für Strukturbildung, Stabilität und funktionelle Materialeigenschaften *Betrachtung der Charakterisierung von Metalloxid-Nanopartikeln auf verschiedenen Längenskalen In diesem Buch finden Forscher im akademischen Bereich, Chemiker in der Industrie und Doktoranden wichtige Erkenntnisse über die Synthese, Eigenschaften und Anwendungen von Metalloxid-Nanopartikeln.