Computational Modeling of Inorganic Nanomaterials

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Publisher : CRC Press
ISBN 13 : 1466576448
Total Pages : 423 pages
Book Rating : 4.4/5 (665 download)

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Book Synopsis Computational Modeling of Inorganic Nanomaterials by : Stefan T. Bromley

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 423 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 structure and properties (such as atomic structure, optical absorption and luminescence, and electrical and heat transport) of a varied range of inorganic nanomaterial systems. Divided into three sections, the book first covers different types of inorganic nanosystems with increasing dimensionality. The second section explains how to computationally describe properties and phenomena associated with inorganic nanomaterials, including the modeling of melting and phase transitions, crystallization, and thermal, mechanical, optical, and excited state properties. The final section highlights a diverse range of important recent case studies of systems where modeling the properties and structures of inorganic nanomaterials is fundamental to their understanding. These case studies illustrate the use of computational techniques to model nanostructures in a range of applications and environments, from heterogeneous catalysis to astrochemistry. Largely due to their extremely reduced dimensions, inorganic nanomaterials are difficult to characterize accurately in experiments. Computational modeling, therefore, often provides unrivaled, detailed insights to complement and guide experimental research on these small-scale materials. This book shows how computational modeling is critical for understanding inorganic nanomaterials and their future development.

Computational Modelling of Nanoparticles

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Publisher : Elsevier
ISBN 13 : 0081022751
Total Pages : 351 pages
Book Rating : 4.0/5 (81 download)

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Book Synopsis Computational Modelling of Nanoparticles by : Stefan T. Bromley

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

Computational Modelling of Nanomaterials

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Publisher : Elsevier
ISBN 13 : 0128214988
Total Pages : 244 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis Computational Modelling of Nanomaterials by : Panagiotis Grammatikopoulos

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

Photoactive Inorganic Nanoparticles

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Publisher : Elsevier
ISBN 13 : 0128145323
Total Pages : 284 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Photoactive Inorganic Nanoparticles by : Julia Pérez Prieto

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

Computational modeling of nanomaterials for biomedical applications

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Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (953 download)

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Book Synopsis Computational modeling of nanomaterials for biomedical applications by : Alexey V. Verkhovtsev

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:

Theoretical Modeling of Inorganic Nanostructures

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Publisher : Springer Nature
ISBN 13 : 3030429946
Total Pages : 865 pages
Book Rating : 4.0/5 (34 download)

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Book Synopsis Theoretical Modeling of Inorganic Nanostructures by : R. A. Evarestov

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.

Multifunctional Inorganic Nanomaterials for Energy Applications

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Publisher : CRC Press
ISBN 13 : 1040029418
Total Pages : 451 pages
Book Rating : 4.0/5 (4 download)

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Book Synopsis Multifunctional Inorganic Nanomaterials for Energy Applications by : H.P. Nagaswarupa

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.

Silicon Nanomaterials Sourcebook

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Publisher : CRC Press
ISBN 13 : 149876388X
Total Pages : 664 pages
Book Rating : 4.4/5 (987 download)

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Book Synopsis Silicon Nanomaterials Sourcebook by : Klaus D. Sattler

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.

Metal Oxide Nanoparticles

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Publisher : John Wiley & Sons
ISBN 13 : 1119436761
Total Pages : 903 pages
Book Rating : 4.1/5 (194 download)

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Book Synopsis Metal Oxide Nanoparticles by : Oliver Diwald

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.

2D Materials for Infrared and Terahertz Detectors

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Publisher : CRC Press
ISBN 13 : 1000204936
Total Pages : 248 pages
Book Rating : 4.0/5 (2 download)

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Book Synopsis 2D Materials for Infrared and Terahertz Detectors by : Antoni Rogalski

Download or read book 2D Materials for Infrared and Terahertz Detectors written by Antoni Rogalski and published by CRC Press. This book was released on 2020-10-26 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: 2D Materials for Infrared and Terahertz Detectors provides an overview of the performance of emerging detector materials, while also offering, for the first time, a comparison with traditional materials used in the fabrication of infrared and terahertz detectors. Since the discovery of graphene, its applications to electronic and optoelectronic devices have been intensively researched. The extraordinary electronic and optical properties allow graphene and other 2D materials to be promising candidates for infrared (IR) and terahertz (THz) photodetectors, and yet it appears that the development of new detectors using these materials is still secondary to those using traditional materials. This book explores this phenomenon, as well as the advantages and disadvantages of using 2D materials. Special attention is directed toward the identification of the most-effective hybrid 2D materials in infrared and terahertz detectors, as well as future trends. Written by one of the world’s leading researchers in the field of IR optoelectronics, this book will be a must-read for researchers and graduate students in photodetectors and related fields. Features • Offers a comprehensive overview of the different types of 2D materials used in fabrication of IR and THz detectors, and includes their advantages/disadvantages • The first book to compare new detectors to a wide family of common, commercially available detectors that use traditional materials.

Computational Nanotechnology

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Publisher : CRC Press
ISBN 13 : 1439841772
Total Pages : 537 pages
Book Rating : 4.4/5 (398 download)

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Book Synopsis Computational Nanotechnology by : Sarhan M. Musa

Download or read book Computational Nanotechnology written by Sarhan M. Musa and published by CRC Press. This book was released on 2018-09-03 with total page 537 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of nanotechnology continue to fuel significant innovations in areas ranging from electronics, microcomputing, and biotechnology to medicine, consumer supplies, aerospace, and energy production. As progress in nanoscale science and engineering leads to the continued development of advanced materials and new devices, improved methods of modeling and simulation are required to achieve a more robust quantitative understanding of matter at the nanoscale. Computational Nanotechnology: Modeling and Applications with MATLAB® provides expert insights into current and emerging methods, opportunities, and challenges associated with the computational techniques involved in nanoscale research. Written by, and for, those working in the interdisciplinary fields that comprise nanotechnology—including engineering, physics, chemistry, biology, and medicine—this book covers a broad spectrum of technical information, research ideas, and practical knowledge. It presents an introduction to computational methods in nanotechnology, including a closer look at the theory and modeling of two important nanoscale systems: molecular magnets and semiconductor quantum dots. Topics covered include: Modeling of nanoparticles and complex nano and MEMS systems Theory associated with micromagnetics Surface modeling of thin films Computational techniques used to validate hypotheses that may not be accessible through traditional experimentation Simulation methods for various nanotubes and modeling of carbon nanotube and silicon nanowire transistors In regard to applications of computational nanotechnology in biology, contributors describe tracking of nanoscale structures in cells, effects of various forces on cellular behavior, and use of protein-coated gold nanoparticles to better understand protein-associated nanomaterials. Emphasizing the importance of MATLAB for biological simulations in nanomedicine, this wide-ranging survey of computational nanotechnology concludes by discussing future directions in the field, highlighting the importance of the algorithms, modeling software, and computational tools in the development of efficient nanoscale systems.

Advanced Thermoelectrics

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Publisher : CRC Press
ISBN 13 : 1498765734
Total Pages : 790 pages
Book Rating : 4.4/5 (987 download)

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Book Synopsis Advanced Thermoelectrics by : Zhifeng Ren

Download or read book Advanced Thermoelectrics written by Zhifeng Ren and published by CRC Press. This book was released on 2017-11-06 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an overview on nanostructured thermoelectric materials and devices, covering fundamental concepts, synthesis techniques, device contacts and stability, and potential applications, especially in waste heat recovery and solar energy conversion. The contents focus on thermoelectric devices made from nanomaterials with high thermoelectric efficiency for use in large scale to generate megawatts electricity. Covers the latest discoveries, methods, technologies in materials, contacts, modules, and systems for thermoelectricity. Addresses practical details of how to improve the efficiency and power output of a generator by optimizing contacts and electrical conductivity. Gives tips on how to realize a realistic and usable device or module with attention to large scale industry synthesis and product development. Prof. Zhifeng Ren is M. D. Anderson Professor in the Department of Physics and the Texas Center for Superconductivity at the University of Houston. Prof. Yucheng Lan is an associate professor in Morgan State University. Prof. Qinyong Zhang is a professor in the Center for Advanced Materials and Energy at Xihua University of China.

Computational Modeling of Intelligent Soft Matter

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Publisher : Elsevier
ISBN 13 : 0443194211
Total Pages : 383 pages
Book Rating : 4.4/5 (431 download)

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Book Synopsis Computational Modeling of Intelligent Soft Matter by : Mostafa Baghani

Download or read book Computational Modeling of Intelligent Soft Matter written by Mostafa Baghani and published by Elsevier. This book was released on 2023-02-15 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Modelling of Intelligent Soft Matter: Shape Memory Polymers and Hydrogels covers the multiphysics response of various smart polymer materials, such as temperature-sensitive shape memory polymers and temperature/ chemosensitive hydrogels. Several thermo–chemo-mechanical constitutive models for these smart polymers are outlined, and their real-world applications are highlighted. The numerical counterpart of each introduced constitutive model is also presented, empowering readers to solve practical problems requiring thermomechanical responses of these materials as well as design and analyze real-world structures made of them. Introduces constitutive models based on continuum thermodynamics for intelligent soft materials Presents calibration methods for identifying material model parameters as well as finite element implementation of the featured models Allows readers to solve practical problems requiring thermomechanical responses from these materials as well as the design and analysis of real-world structures made of them

Computational Nanotoxicology

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Publisher : CRC Press
ISBN 13 : 1000681424
Total Pages : 287 pages
Book Rating : 4.0/5 (6 download)

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Book Synopsis Computational Nanotoxicology by : Agnieszka Gajewicz

Download or read book Computational Nanotoxicology written by Agnieszka Gajewicz and published by CRC Press. This book was released on 2019-11-13 with total page 287 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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).

Trends in Computational Nanomechanics

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Publisher : Springer Science & Business Media
ISBN 13 : 1402097859
Total Pages : 628 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Trends in Computational Nanomechanics by : Traian Dumitrica

Download or read book Trends in Computational Nanomechanics written by Traian Dumitrica and published by Springer Science & Business Media. This book was released on 2010-03-14 with total page 628 pages. Available in PDF, EPUB and Kindle. Book excerpt: Trends in Computational Nanomechanics reviews recent advances in analytical and computational modeling frameworks to describe the mechanics of materials on scales ranging from the atomistic, through the microstructure or transitional, and up to the continuum. The book presents new approaches in the theory of nanosystems, recent developments in theoretical and computational methods for studying problems in which multiple length and/or time scales must be simultaneously resolved, as well as example applications in nanomechanics. This title will be a useful tool of reference for professionals, graduates and undergraduates interested in Computational Chemistry and Physics, Materials Science, Nanotechnology.

Conductive Polymers

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Publisher : CRC Press
ISBN 13 : 1482259311
Total Pages : 420 pages
Book Rating : 4.4/5 (822 download)

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Book Synopsis Conductive Polymers by : Ze Zhang

Download or read book Conductive Polymers written by Ze Zhang and published by CRC Press. This book was released on 2018-09-03 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is dedicated to the field of conductive polymers, focusing on electrical interactions with biological systems. It addresses the use of conductive polymers as the conducting interface for electrical communications with the biological system, both in vitro and in vivo. It provides an overview on the chemistry and physics of conductive polymers, their useful characteristics as well as limitations, and technologies that apply conductive polymers for medical purposes. This groundbreaking resource addresses cytotoxicity and tissue compatibility of conductive polymers, the basics on electromagnetic fields, and commonly used experimental methods. Readers will also learn how cells are cultured in vitro with conductive polymers, and how conductive polymers and living tissues interact electrically. Throughout the contents, chapter authors emphasize the importance of conductive polymers in biomedical engineering and their potential applications in medicine.

Skyrmions

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Publisher : CRC Press
ISBN 13 : 1315284162
Total Pages : 502 pages
Book Rating : 4.3/5 (152 download)

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Book Synopsis Skyrmions by : J. Ping Liu

Download or read book Skyrmions written by J. Ping Liu and published by CRC Press. This book was released on 2016-12-08 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: "The book reviews all the aspects of recent developments in research on skyrmions, from the presentation of the observation and characterization techniques to the description of physical properties and expected applications. It will be of great use for all scientists working in this field." – Albert Fert, 2007 Nobel Laureate in Physics (from the Foreword) A skyrmion is a tiny region of reversed magnetization – quasiparticles since they are not present except in a magnetic state, and also give rise to physics that cannot be described by Maxwell’s equations. These particles are fascinating subjects for theoretical and experimental studies. Moreover, as a new type of magnetic domain structure with special topological structures, skyrmions feature outstanding magnetic and transport properties and may well have applications in data storage and other advanced spintronic devices, as readers will see in this book. Chapters address the relationships between physical properties of condensed matter, such as the AB effect, Berry phase effect, quantum Hall effect, and topological insulators. Overall, it provides a timely introduction to the fundamental aspects and possible applications of magnetic skyrmions to an interdisciplinary audience from condensed matter physics, chemistry, and materials science.