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Molecular Modelling And Synthesis Of Nanomaterials
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Book Synopsis Molecular Modelling and Synthesis of Nanomaterials by : Ihsan Boustani
Download or read book Molecular Modelling and Synthesis of Nanomaterials written by Ihsan Boustani and published by Springer Nature. This book was released on 2020-07-14 with total page 598 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Modeling of Nanotoxicity by : Ruhong Zhou
Download or read book Modeling of Nanotoxicity written by Ruhong Zhou and published by Springer. This book was released on 2015-09-04 with total page 195 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive overview of the fundamentals of nanotoxicity modeling and its implications for the development of novel nanomedicines. It lays out the fundamentals of nanotoxicity modeling for an array of nanomaterial systems, ranging from carbon-based nanoparticles to noble metals, metal oxides, and quantum dots. The author illustrates how molecular (classical mechanics) and atomic (quantum mechanics) modeling approaches can be applied to bolster our understanding of many important aspects of this critical nanotoxicity issue. Each chapter is organized by types of nanomaterials for practicality, making this an ideal book for senior undergraduate students, graduate students, and researchers in nanotechnology, chemistry, physics, molecular biology, and computer science. It is also of interest to academic and industry professionals who work on nanodrug delivery and related biomedical applications, and aids readers in their biocompatibility assessment efforts in the coming age of nanotechnology. This book also provides a critical assessment of advanced molecular modeling and other computational techniques to nanosafety, and highlights current and future biomedical applications of nanoparticles in relation to nanosafety.
Book Synopsis Molecular Modeling Techniques In Material Sciences by : Jörg-Rüdiger Hill
Download or read book Molecular Modeling Techniques In Material Sciences written by Jörg-Rüdiger Hill and published by CRC Press. This book was released on 2005-03-30 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Increasingly useful in materials research and development, molecular modeling is a method that combines computational chemistry techniques with graphics visualization for simulating and predicting the structure, chemical processes, and properties of materials. Molecular Modeling Techniques in Materials Science explores the impact of using molecular modeling for various simulations in industrial settings. It provides an overview of commonly used methods in atomistic simulation of a broad range of materials, including oxides, superconductors, semiconductors, zeolites, glass, and nanomaterials. The book presents information on how to handle different materials and how to choose an appropriate modeling method or combination of techniques to better predict material behavior and pinpoint effective solutions. Discussing the advantages and disadvantages of various approaches, the authors develop a framework for identifying objectives, defining design parameters, measuring accuracy/accounting for error, validating and assessing various data collected, supporting software needs, and other requirements for planning a modeling project. The book integrates the remarkable developments in computation, such as advanced graphics and faster, cheaper workstations and PCs with new advances in theoretical techniques and numerical algorithms. Molecular Modeling Techniques in Materials Science presents the background and tools for chemists and physicists to perform in-silico experiments to understand relationships between the properties of materials and the underlying atomic structure. These insights result in more accurate data for designing application-specific materials that withstand real process conditions, including hot temperatures and high pressures.
Book Synopsis Advances in Nanoparticles by : Luca Pasquini
Download or read book Advances in Nanoparticles written by Luca Pasquini and published by MDPI. This book was released on 2020-04-02 with total page 144 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on recent advances in the synthesis of nanoparticles, their characterization, and their applications in different fields such as catalysis, photonics, magnetism, and nanomedicine. Nanoparticles receive a large share of the worldwide research activity in contemporary materials science. This is witnessed by the number of scientific papers with "nanoparticle" as a keyword, increasing linearly in the last 10 years from about 16,000 in 2009 to about 50,000 in 2019. This impressive widespread interest stems from the basic science of nanoparticles, which constitute a bridge between the molecular and the bulk worlds, as well as from their technological applications. The preparation of nanoparticles is a crossroad of materials science where chemists, physicists, engineers, and even biologists frequently meet, leading to a continuous improvement of existing techniques and to the invention of new methods. The reader interested in nanoparticles synthesis and properties will here find a valuable selection of scientific cases that cannot cover all methods and applications relevant to the field, but still provide an updated overview on the fervent research activity focused on nanoparticles.
Book Synopsis First Principles-based Molecular Modeling of Thermal Transport in Silicon-based Nanomaterials by : Yongjin Lee
Download or read book First Principles-based Molecular Modeling of Thermal Transport in Silicon-based Nanomaterials written by Yongjin Lee and published by . This book was released on 2014 with total page 348 pages. Available in PDF, EPUB and Kindle. Book excerpt: In today's nanotechnology, a critical issue is to gain the ability to control the structure and function of matter with a deeper understanding of the quantitative and qualitative relationship among their synthesis conditions, structures, and properties. Experiments may provide information regarding the behavior of nanomaterials, but their interpretations are often controversial due largely to the difficulty of direct measurement. Hereupon, with the amazing advance in computer technology since the late 20th century, computational modeling in science and engineering is increasingly important particularly in the fields of nanoscience and nanotechnology while it can provide researchers with significant insights into atomic-level interactions in various materials systems and underlying fundamental theories. The ability of engineering thermal conductivity of materials on the nanoscale has become extremely important in various applications including electronics and energy storage/conversion technologies. Due to technical difficulties in experimentally measuring the thermal conductivity of disordered and complex nanostructures, there has been much interest in use of theoretical and computational methods to investigate thermal transport properties nanostructured materials. One computational method that can perform an accurate analysis for the thermal conductivity of new or complex systems is molecular dynamics (MD), due to its capability of predicting the behaviors of atoms in large systems. In this work, we have developed a comprehensive MD-based computational platform capable of predicting and explaining thermal transport in disordered and complex nanostructured materials. The unique features include construction of realistic nanostructures, determination of reliable force fields, and direct simulation of large systems, which are allowed by coupling various state-of-the-art computational methods including quantum mechanics, molecular mechanics, statistical theories, and massively parallel computing. The computational scheme was applied to describe thermal transport in various silicon and carbon-based disordered and nanostructures. First, the effects of defects including vacancy clusters, substitutional dopants, and dopant-defect complexes on the thermal conductivity of bulk crystalline silicon were investigated. Next, we analyzed the factors affecting heat transport in silicon-germanium and ternary silicon-germanium-tin alloys. Lastly, we performed the analysis of heat transport in silicon-based nanostructures such as nanowires and polycrystalline structures.
Book Synopsis Modeling, Characterization and Production of Nanomaterials by :
Download or read book Modeling, Characterization and Production of Nanomaterials written by and published by Elsevier. This book was released on 2015-03-17 with total page 555 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nano-scale materials have unique electronic, optical, and chemical properties which make them attractive for a new generation of devices. Part one of Modeling, Characterization, and Production of Nanomaterials: Electronics, Photonics and Energy Applications covers modeling techniques incorporating quantum mechanical effects to simulate nanomaterials and devices, such as multiscale modeling and density functional theory. Part two describes the characterization of nanomaterials using diffraction techniques and Raman spectroscopy. Part three looks at the structure and properties of nanomaterials, including their optical properties and atomic behaviour. Part four explores nanofabrication and nanodevices, including the growth of graphene, GaN-based nanorod heterostructures and colloidal quantum dots for applications in nanophotonics and metallic nanoparticles for catalysis applications. Comprehensive coverage of the close connection between modeling and experimental methods for studying a wide range of nanomaterials and nanostructures Focus on practical applications and industry needs, supported by a solid outlining of theoretical background Draws on the expertise of leading researchers in the field of nanomaterials from around the world
Book Synopsis Dendrimers in Nanomedicine by : Neelesh Kumar Mehra
Download or read book Dendrimers in Nanomedicine written by Neelesh Kumar Mehra and published by CRC Press. This book was released on 2021-03-24 with total page 401 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dendrimers, hyperbranched macromolecules, emerged just few decades ago but show promising potential as drug delivery nanocarriers, theranostic agents and gene vectors; in the pharmaceutical research and innovation area as well as in other healthcare applications. Although tremendous advancements have been made in dendrimer chemistry and their applications since their emergence, the synthesis, development and design of pure and safe dendrimer-based products have been a major challenge in this area. This book, edited by well-known researchers in the area of nanomaterials and drug-based drug delivery applications, exhaustively covers the nanotechnological aspects, concepts, properties, characterisation, application, biofate and regulatory aspects of dendrimers. It includes sixteen vivid chapters by renowned formulators, researchers and academicians from all over the world, highlighting their specialised areas of interest in the fields of chemistry, biology, pharmacy and nanomedicine. Features: • Highlights dendrimers’ advancements in nanomedicine in the development of safe healthcare and biotechnological products • Covers physicochemical aspects, biofate, drug delivery aspects and gene therapy using dendrimers • Covers biomedical application of dendrimers in the field of biological sciences • Gives examples of dendrimer–guest interaction chemistry Dendrimers in Nanomedicine: Concept, Theory and Regulatory Perspectives provides the comprehensive overview of the latest research efforts in designing, optimising, development and scale-up of dendrimer-mediated delivery systems. It analyses the key challenges of synthesis, design, molecular modelling, fundamental concepts, drug delivery aspects, analytical tools and biological fate as well as regulatory consideration to the practical use of dendrimer application. Dr. Neelesh Kumar Mehra Assistant Professor of Pharmaceutics in the Department of Pharmaceutics at the National Institute of Pharmaceutical Education & Research (NIPER), Hyderabad, India. He has authored more than sixty peer-reviewed publications in highly reputed international journals, as well as book chapters and contributions on two patents. Dr. Mehra has 11 years of rich research and teaching experience in the formulation and development of complex, innovative biopharmaceutical products including micro- and nanotechnologies for regulated markets. Dr. Keerti Jain Assistant Professor of Pharmaceutics in the Department of Pharmaceutics, NIPER, Raebareli, India. For more than 10 years, she has been actively engaged in formulation and development of nanomedicines. Dr. Jain has supervised masters and doctoral pharmaceutics students in their research works which have been published in high quality, good impact factor journals. She has also authored more than 60 international manuscripts in peer reviewed high impact journals. In 2019, she was awarded the prestigious ICMR-Amir Shakuntala Award.
Book Synopsis Nanomaterials and Nanochemistry by : C. Bréchignac
Download or read book Nanomaterials and Nanochemistry written by C. Bréchignac and published by Springer Science & Business Media. This book was released on 2008-01-01 with total page 753 pages. Available in PDF, EPUB and Kindle. Book excerpt: Here is a brilliant book that covers the major aspects of nanomaterials production. It integrates the many and varied chemical, material and thermo-dynamical facets of production, offering readers a new and unique approach to the subject. The mechanical, optical, and magnetic characteristics of nanomaterials are also presented in detail. Nanomaterials are a fast developing field of research and this book serves as both a reference work for researchers and a textbook for graduate students.
Book Synopsis Biological Synthesis of Nanoparticles and Their Applications by : L Karthik
Download or read book Biological Synthesis of Nanoparticles and Their Applications written by L Karthik and published by CRC Press. This book was released on 2019-12-06 with total page 463 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biological Synthesis of Nanoparticles and Their Applications gives insight into the synthesis of nanoparticles utilizing the natural routes. It demonstrates various strategies for the synthesis of nanoparticles utilizing plants, microscopic organisms like bacteria, fungi, algae and so forth. It orchestrates interdisciplinary hypothesis, ideas, definitions, models and discoveries associated with complex cell of the prokaryotes and eukaryotes. Highlights: Discusses biological approach towards the nanoparticle synthesis Describes the role of nanotechnology in the field of medicine and its medical devices Covers application and usage of the chemicals at the molecular level to act as catalysts and binding products for both organic and inorganic Chemical Reactions Reviews application in physics such as solar cells, photovoltaics and other usage Microorganisms can aggregate and detoxify substantial metals because of different reductase enzymes, which can diminish metal salts to metal nanoparticles. The readers after going through this book will have detailed account of mechanism of bio-synthesis of nanoparticles.
Book Synopsis Application of Molecular Modeling in the Noncovalent Dispersion of Carbon Nanomaterials by : Praveen Kumar Madasu
Download or read book Application of Molecular Modeling in the Noncovalent Dispersion of Carbon Nanomaterials written by Praveen Kumar Madasu and published by . This book was released on 2009 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Advanced Nanomaterials by : Sabu Thomas
Download or read book Advanced Nanomaterials written by Sabu Thomas and published by CRC Press. This book was released on 2014-06-04 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: A collection of highly selected, peer-reviewed chapters, this book showcases the research of an international roster of scientists. It covers nanomaterials with emphasis on synthesis, characterization, and applications. It also presents emerging developments in nanotechnology in areas as diverse as medicine, energy, electronics, and agriculture. In
Book Synopsis Nanoparticles in Catalysis by : Karine Philippot
Download or read book Nanoparticles in Catalysis written by Karine Philippot and published by John Wiley & Sons. This book was released on 2021-06-28 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoparticles in Catalysis Discover an essential overview of recent advances and trends in nanoparticle catalysis Catalysis in the presence of metal nanoparticles is an important and rapidly developing research field at the frontier of homogeneous and heterogeneous catalysis. In Nanoparticles in Catalysis, accomplished chemists and authors Karine Philippot and Alain Roucoux deliver a comprehensive guide to the key aspects of nanoparticle catalysis, ranging from synthesis, activation methodology, characterization, and theoretical modeling, to application in important catalytic reactions, like hydrogen production and biomass conversion. The book offers readers a review of modern and efficient tools for the synthesis of nanoparticles in solution or onto supports. It emphasizes the application of metal nanoparticles in important catalytic reactions and includes chapters on activation methodology and supported nanoclusters. Written by an international team of leading voices in the field, Nanoparticles in Catalysis is an indispensable resource for researchers and professionals in academia and industry alike. Readers will also benefit from the inclusion of: A thorough introduction to New Trends in the Design of Metal Nanoparticles and Derived Nanomaterials for Catalysis An exploration of Dynamic Catalysis and the Interface Between Molecular and Heterogeneous Catalysts A practical discussion of Metal Nanoparticles in Water: A Relevant Toolbox for Green Catalysis Organometallic Metal Nanoparticles for Catalysis A concise treatment of the opportunities and challenges of CO2 Hydrogenation to Oxygenated Chemicals Over Supported Nanoparticle Catalysts Perfect for catalytic, organic, inorganic, and physical chemists, Nanoparticles in Catalysis will also earn a place in the libraries of chemists working with organometallics and materials scientists seeking a one-stop resource with expert knowledge on the synthesis and characterization of nanoparticle catalysis.
Book Synopsis Carbon Nanomaterials: Modeling, Design, and Applications by : Kun Zhou
Download or read book Carbon Nanomaterials: Modeling, Design, and Applications written by Kun Zhou and published by CRC Press. This book was released on 2019-07-17 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: Carbon Nanomaterials: Modeling, Design, and Applications provides an in-depth review and analysis of the most popular carbon nanomaterials, including fullerenes, carbon nanotubes, graphene and novel carbon nanomaterial-based membranes and thin films, with emphasis on their modeling, design and applications. This book provides basic knowledge of the structures, properties and applications of carbon-based nanomaterials. It illustrates the fundamental structure-property relationships of the materials in both experimental and modeling aspects, offers technical guidance in computational simulation of nanomaterials, and delivers an extensive view on current achievements in research and practice, while presenting new possibilities in the design and usage of carbon nanomaterials. This book is aimed at both undergraduate and graduate students, researchers, designers, professors, and professionals within the fields of materials science and engineering, mechanical engineering, applied physics, and chemical engineering.
Book Synopsis Microbial Interactions at Nanobiotechnology Interfaces by : R. Navanietha Krishnaraj
Download or read book Microbial Interactions at Nanobiotechnology Interfaces written by R. Navanietha Krishnaraj and published by John Wiley & Sons. This book was released on 2021-10-26 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: MICROBIAL INTERACTIONS AT NANOBIOTECHNOLOGY INTERFACES This book covers a wide range of topics including synthesis of nanomaterials with specific size, shape, and properties, structure-function relationships, tailoring the surface of nanomaterials for improving the properties, interaction of nanomaterials with proteins/microorganism/eukaryotic cells, and applications in different sectors. This book also provides a strong foundation for researchers who are interested to venture into developing functionalized nanomaterials for any biological applications in their research. Practical concepts such as modelling nanomaterials, and simulating the molecular interactions with biomolecules, transcriptomic or genomic approaches, advanced imaging techniques to investigate the functionalization of nanomaterials/interaction of nanomaterials with biomolecules and microorganisms are some of the chapters that offer significant benefits to the researchers.
Author :Anatoliy Petrovych Shpak Publisher :Springer Science & Business Media ISBN 13 :9048123097 Total Pages :427 pages Book Rating :4.0/5 (481 download)
Book Synopsis Nanomaterials and Supramolecular Structures by : Anatoliy Petrovych Shpak
Download or read book Nanomaterials and Supramolecular Structures written by Anatoliy Petrovych Shpak and published by Springer Science & Business Media. This book was released on 2009-10-22 with total page 427 pages. Available in PDF, EPUB and Kindle. Book excerpt: The text features experimental investigations which use a variety of modern methods and theoretical modeling of surface structures and physicochemical processes which occur at solid surfaces. Nanomaterials and Supramolecular Structures: Physics, Chemistry, and Applications is intended for specialists experienced in the fields of Nanochemistry, Nanophysics, Surface Chemistry (and Physics), synthesis of new nanostructural functional materials and their practical applications. It will also prove useful to students, post-graduates, researchers, and lecturers.
Book Synopsis Supramolecular Nanotechnology by : Omar Azzaroni
Download or read book Supramolecular Nanotechnology written by Omar Azzaroni and published by John Wiley & Sons. This book was released on 2023-04-25 with total page 1801 pages. Available in PDF, EPUB and Kindle. Book excerpt: Supramolecular Nanotechnology Provides up-to-date coverage of both current knowledge and new developments in the dynamic and interdisciplinary field of supramolecular nanotechnology In recent years, supramolecular nanotechnology has revolutionized research in chemistry, physics, and materials science. These easily manipulated molecular units enable the synthesis of novel nanomaterials for use in a wide range of current and potential applications including electronics, sensors, drug delivery, and imaging. Supramolecular Nanotechnology presents a state-of-the-art overview of functional self-assembling nanomaterials based on organic and polymeric molecules. Featuring contributions by an international panel of experts in the field, this comprehensive volume covers the design of self-assembled materials, their synthesis and diverse fabrication methods, the characterization of supramolecular architectures, and current and emerging applications in chemistry, biology, and medicine. Detailed chapters discuss the synthesis of peptide-based supramolecular structures and polymeric self-assembling materials, their characterization, advanced microscopy techniques, nanostructures made of porphyrins, polyelectrolytes, silica, their application in catalysis and cancer, atomistic and coarse-grained simulations, and more. Presents cutting-edge research on rationally designed, self-assembled supramolecular structures Discusses the impact of supramolecular nanotechnology on current and future research and technology Highlights applications of self-assembled supramolecular systems in catalysis, biomedical imaging, cancer therapies, and regenerative medicine Provides synthetic strategies for preparing the molecular assemblies and various characterization techniques for assessing the supramolecular morphology Describes theoretical modeling and simulation techniques for analyzing supramolecular nanostructures Supramolecular Nanotechnology: Advanced Design of Self-Assembled Functional Materials is essential reading for materials scientists and engineers, polymer and organic chemists, pharmaceutical scientists, molecular physicists and biologists, and chemical engineers.
Book Synopsis Nanostructured Multifunctional Materials by : Esteban A. Franceschini
Download or read book Nanostructured Multifunctional Materials written by Esteban A. Franceschini and published by CRC Press. This book was released on 2021-06-04 with total page 546 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
