Theoretical Modeling of Inorganic Nanostructures PDF Download
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Author: R.A. Evarestov
Publisher: Springer
ISBN: 3662445816
Category : Science
Languages : en
Pages : 678
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Book Description
This book deals with the theoretical and computational simulation of monoperiodic nanostructures for different classes of inorganic substances. These simulations are related to their synthesis and experimental studies. A theoretical formalism is developed to describe 1D nanostructures with symmetric shapes and morphologies. Three types of models are considered for this aim: (i) nanotubes (rolled from 2D nanolayers and described within the formalism of line symmetry groups); (ii) nanoribbons (obtained from 2D nanolayers by their cutting along the chosen direction of translation); (iii) nanowires (obtained from 3D lattice by its sectioning along the crystalline planes parallel to the chosen direction of translation). Quantum chemistry ab-initio methods applied for LCAO calculations on electronic and vibrational properties of 1D nanostructures are thoroughly described. Understanding of theoretical aspects presented here enlarges the possibilities for synthesis of monoperiodic nanostructures with predictable morphology and better interpretation of their properties.
Author: R.A. Evarestov
Publisher: Springer
ISBN: 3662445816
Category : Science
Languages : en
Pages : 678
Get Book Here
Book Description
This book deals with the theoretical and computational simulation of monoperiodic nanostructures for different classes of inorganic substances. These simulations are related to their synthesis and experimental studies. A theoretical formalism is developed to describe 1D nanostructures with symmetric shapes and morphologies. Three types of models are considered for this aim: (i) nanotubes (rolled from 2D nanolayers and described within the formalism of line symmetry groups); (ii) nanoribbons (obtained from 2D nanolayers by their cutting along the chosen direction of translation); (iii) nanowires (obtained from 3D lattice by its sectioning along the crystalline planes parallel to the chosen direction of translation). Quantum chemistry ab-initio methods applied for LCAO calculations on electronic and vibrational properties of 1D nanostructures are thoroughly described. Understanding of theoretical aspects presented here enlarges the possibilities for synthesis of monoperiodic nanostructures with predictable morphology and better interpretation of their properties.
Author: R. A. Evarestov
Publisher: Springer Nature
ISBN: 3030429946
Category : Science
Languages : en
Pages : 865
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Book Description
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: Christian von Borczyskowski
Publisher: CRC Press
ISBN: 1315340879
Category : Science
Languages : en
Pages : 226
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Book Description
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.
Author: Christian von Borczyskowski
Publisher: CRC Press
ISBN: 9814745448
Category : Science
Languages : en
Pages : 412
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Book Description
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.
Author: W.L.F. Armarego
Publisher: Butterworth-Heinemann
ISBN: 0323958281
Category : Technology & Engineering
Languages : en
Pages : 687
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Book Description
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
Author: N. Yusa
Publisher: IOS Press
ISBN: 1614996393
Category : Science
Languages : en
Pages : 344
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Book Description
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.
Author: Claudia Altavilla
Publisher: CRC Press
ISBN: 1439817626
Category : Technology & Engineering
Languages : en
Pages : 601
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Book Description
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.
Author: Artem R Oganov
Publisher: Royal Society of Chemistry
ISBN: 1788015622
Category : Science
Languages : en
Pages : 470
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Book Description
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.
Author: Wenbin Cao
Publisher: BoD – Books on Demand
ISBN: 9535124846
Category : Science
Languages : en
Pages : 678
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Book Description
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.
Author: Aleš Iglič
Publisher: CRC Press
ISBN: 9814303437
Category : Medical
Languages : en
Pages : 524
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Book Description
This book is a survey on the theoretical as well as experimental results on nanostructures in biological systems. It shows how a unifying approach starting from single-particle energy, deriving free energy of the system and determining the equilibrium by minimizing the free energy, can be applied to describe electrical and elastic phenomena. It hel
