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Theoretical Modeling of Inorganic Nanostructures by R. A. Evarestov Pdf
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.
Computational Modeling of Inorganic Nanomaterials by Stefan T. Bromley,Martijn A. Zwijnenburg Pdf
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.
Nanostructures by Christophe Jean Delerue,Michel Lannoo Pdf
Provides the theoretical background needed by physicists, engineers and students to simulate nano-devices, semiconductor quantum dots and molecular devices. It presents in a unified way the theoretical concepts, the more recent semi-empirical and ab initio methods, and their application to experiments. The topics include quantum confinement, dielectric and optical properties, non-radiative processes, defects and impurities, and quantum transport. This guidebook not only provides newcomers with an accessible overview (requiring only basic knowledge of quantum mechanics and solid-state physics) but also provides active researchers with practical simulation tools.
Self-Assembled Organic-Inorganic Nanostructures by Christian von Borczyskowski,Eduard Zenkevich Pdf
The current state and perspectives in natural and life sciences are strongly linked to the development of novel complex organic-inorganic materials at various levels of organization, including semiconductor quantum dots (QDs) and QD-based nanostructures with unique optical and physico-chemical properties. This book provides a comprehensive description of the morphology and main physico-chemical properties of self-assembled inorganic-dye nanostructures as well as some applications in the field of nanotechnology. It crosses disciplines to examine essential nanoassembly principles of QD interaction with organic molecules, excited state dynamics in nanoobjects, theoretical models, and methodologies. Based on ensemble and single-nanoobject detection, the book quantitatively shows (for the first time on a series of nanoassemblies) that surface-mediated processes (formation of trap states) dictate the probability of several of the most interesting and potentially useful photophysical phenomena (FRET- or non-FRET-induced quenching of QD photoluminescence) observed for colloidal QDs and QD–dye nanoassemblies. Further, nanostructures can be generated by nanolithography and thereafter selectively decorated with dye molecules. A similar approach applies to natural nanosized surface heterogeneities.
This volume is a researcher's reference handbook to the many aspects of nanometer structures. Although intended as a source for the serious researcher, novices will find a great deal of interesting content. The theories covered include nanostructured thin films, photonic bandgap structures, quantum dots, carbon nanotubes, atomistic techniques, nanomechanics, nanofluidics, and quantum information processing. Modeling and simulation research on these topics have now reached a stage of maturity.
Self-Assembled Organic-Inorganic Nanostructures by Christian von Borczyskowski,Eduard Zenkevich Pdf
The current state and perspectives in natural and life sciences are strongly linked to the development of novel complex organic-inorganic materials at various levels of organization, including semiconductor quantum dots (QDs) and QD-based nanostructures with unique optical and physico-chemical properties. This book provides a comprehensive description of the morphology and main physico-chemical properties of self-assembled inorganic-dye nanostructures as well as some applications in the field of nanotechnology. It crosses disciplines to examine essential nanoassembly principles of QD interaction with organic molecules, excited state dynamics in nanoobjects, theoretical models, and methodologies. Based on ensemble and single-nanoobject detection, the book quantitatively shows (for the first time on a series of nanoassemblies) that surface-mediated processes (formation of trap states) dictate the probability of several of the most interesting and potentially useful photophysical phenomena (FRET- or non-FRET-induced quenching of QD photoluminescence) observed for colloidal QDs and QD–dye nanoassemblies. Further, nanostructures can be generated by nanolithography and thereafter selectively decorated with dye molecules. A similar approach applies to natural nanosized surface heterogeneities.
Computational Modelling of Nanomaterials by Panagiotis Grammatikopoulos Pdf
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
Inorganic Nanoparticles by Claudia Altavilla,Enrico Ciliberto Pdf
Among the various nanomaterials, inorganic nanoparticles are extremely important in modern technologies. They can be easily and cheaply synthesized and mass produced, and for this reason, they can also be more readily integrated into applications. Inorganic Nanoparticles: Synthesis, Applications, and Perspectives presents an overview of these special materials and explores the myriad ways in which they are used. It addresses a wide range of topics, including: Application of nanoparticles in magnetic storage media Use of metal and oxide nanoparticles to improve performance of oxide thin films as conducting media in commercial gas and vapor sensors Advances in semiconductors for light-emitting devices and other areas related to the energy sector, such as solar energy and energy storage devices (fuel cells, rechargeable batteries, etc.) The expanding role of nanosized particles in the field of catalysis, art conservation, and biomedicine The book’s contributors address the growing global interest in the application of inorganic nanoparticles in various technological sectors. Discussing advances in materials, device fabrication, and large-scale production—all of which are urgently required to reduce global energy demands—they cover innovations in areas such as solid-state lighting, detailing how it still offers higher efficiency but higher costs, compared to conventional lighting. They also address the impact of nanotechnology in the biomedical field, focusing on topics such as quantum dots for bioimaging, nanoparticle-based cancer therapy, drug delivery, antibacterial agents, and more. Fills the informational gap on the wide range of applications for inorganic nanoparticles in areas including biomedicine, electronics, storage media, conservation of cultural heritage, optics, textiles, and cosmetics Assembling work from an array of experts at the top of their respective fields, this book delivers a useful analysis of the vast scope of existing and potential applications for inorganic nanoparticles. Versatile as either a professional research resource or textbook, this effective tool elucidates fundamentals and current advances associated with design, characterization, and application development of this promising and ever-evolving device.
Purification of Laboratory Chemicals by W.L.F. Armarego Pdf
Purification of Laboratory Chemicals: Part Two, Inorganic Chemicals, Catalysts, Biochemicals, Physiologically Active Chemicals, Nanomaterials, Ninth Edition describes contemporary methods for the purification of chemical compounds. The work includes tabulated methods taken from literature for purifying thousands of individual commercially available chemical substances. To help in applying this information, the more common processes currently used for purification in chemical laboratories and new methods are discussed. For dealing with substances not separately listed, another chapter is included, setting out the usual methods for purifying specific classes of compounds. Laboratory workers, whether carrying out research or routine work, will invariably need to consult this book. Apart from the procedures described, the large amount of physical data about listed chemicals is essential. This fully updated, revised and expanded new edition includes the purification of many new substances that have been available commercially since 2017, along with previously available substances which have found new applications. Features empirical formulae and formula weights for every entry References all important applications of each substance Includes updated CAS registry numbers Covers the latest commercial chemical products, including pharmaceutical chemicals and safety/hazard materials Provides expanded coverage of laboratory/work practices and purification methods
Materials Modeling for Macro to Micro/Nano Scale Systems by Satya Bir Singh,Prabhat Ranjan,A. K. Haghi Pdf
This new volume offers a state-of-the-art report on various recent scientific developments in the theory of engineering materials. It addresses the close connection between modeling and experimental methods for studying a wide range of nanomaterials and nanostructures.Focusing on practical applications and industry needs, and supported by a solid outlining of theoretical background, the volume provides an overview of approaches that have been developed for designing nanostructured materials. It also covers several aspects of the simulation and design of nanomaterials, analyzed by a selected group of active researchers in the field. The volume also looks at how the advancement of computational tools have enabled nanoscopic prediction of physical and chemical properties and how they can be used to simulate and analyze nanostructures.Materials Modeling for Macro to Micro/Nano Scale Systems is addressed to a wide readership and will be useful for undergraduate and graduate students and as a reference source for professionals including engineers, applied mathematicians, and others working on different application of nanomaterials in engineering.
Electromagnetic Nondestructive Evaluation (XIX) by N. Yusa,T. Uchimoto,H. Kikuchi Pdf
There have been many developments in the field of electromagnetic nondestructive evaluation in recent years, and it has become an increasingly valuable tool in many areas of industry, engineering and construction. This book presents selected papers from the 20th International workshop on Electromagnetic Nondestructive Evaluation (ENDE) held in Sendai, Japan, in September 2015. ENDE workshops aim to provide an international forum for discussion on the state-of-the-art and perspectives in the field of electromagnetic nondestructive methods from the point of view of science and technology, as well as their applications in industry and engineering, which have contributed to the development of nondestructive testing and evaluation techniques using electromagnetic fields. The book will be of interest to all those whose work involves the use or development of electromagnetic nondestructive evaluation techniques, in whatever field.
Computational Materials Discovery by Artem R Oganov,Gabriele Saleh,Alexander G Kvashnin Pdf
New technologies are made possible by new materials, and until recently new materials could only be discovered experimentally. Recent advances in solving the crystal structure prediction problem means that the computational design of materials is now a reality. Computational Materials Discovery provides a comprehensive review of this field covering different computational methodologies as well as specific applications of materials design. The book starts by illustrating how and why first-principle calculations have gained importance in the process of materials discovery. The book is then split into three sections, the first exploring different approaches and ideas including crystal structure prediction from evolutionary approaches, data mining methods and applications of machine learning. Section two then looks at examples of designing specific functional materials with special technological relevance for example photovoltaic materials, superconducting materials, topological insulators and thermoelectric materials. The final section considers recent developments in creating low-dimensional materials. With contributions from pioneers and leaders in the field, this unique and timely book provides a convenient entry point for graduate students, researchers and industrial scientists on both the methodologies and applications of the computational design of materials.
Photocatalysis is a hot topic because it is an environmentally friendly approach toward the conversion of light energy into chemical energy at mild reaction environments. Also, it is well applied in several major areas such as water splitting, bacterial inactivation, and pollutants elimination, which is a possible solution to energy shortage and environmental issues. The fundamental knowledge and the frontier research progress in typical photocatalytic materials, such as TiO2-based and non-TiO2-based photocatalysts, are included in this book. Methods to improve the photocatalytic efficiency and to provide a hint for the rational design of the new photocatalysts are covered.
Nanomaterials: Design and Simulation by Perla Balbuena,Jorge M. Seminario Pdf
Over the past few decades, several approaches have been developed for designing nano-structured or molecularly-structured materials. These advances have revolutionized practically all fields of science and engineering, providing an additional design variable, the feature size of the nano-structures, which can be tailored to provide new materials with very special characteristics. Nanomaterials: Design and Simulation explores the role that such advances have made toward a rational design of nanostructures and covers a variety of methods from ab initio electronic structure techniques, ab initio molecular dynamics, to classical molecular dynamics, also being complemented by coarse-graining and continuum methods. Also included is an overview of how the development of these computational tools has enabled the possibility of exploring nanoscopic details and using such information for the prediction of physical and chemical properties that are not always possible to be obtained experimentally. * Provides an overview of approaches that have been developed for designing nano-structured or molecularly-structured materials. * This volume covers several aspects of the simulation and design of nanomaterials analyzed by a selected group of active researchers in the field. * Looks at how the advancement of computational tools have enabled nanoscopic prediction of physical and chemical properties
