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Theoretical Modeling Of Inorganic Nanostructures


Theoretical Modeling Of Inorganic Nanostructures
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Theoretical Modeling Of Inorganic Nanostructures


Theoretical Modeling Of Inorganic Nanostructures
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Author : R. A. Evarestov
language : en
Publisher: Springer Nature
Release Date : 2020-06-10

Theoretical Modeling Of Inorganic Nanostructures written by R. A. Evarestov and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-06-10 with Science categories.


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.



Theoretical Modeling Of Inorganic Nanostructures


Theoretical Modeling Of Inorganic Nanostructures
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Author : R.A. Evarestov
language : en
Publisher: Springer
Release Date : 2015-01-23

Theoretical Modeling Of Inorganic Nanostructures written by R.A. Evarestov and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-01-23 with Science categories.


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.



Molecular Modelling And Synthesis Of Nanomaterials


Molecular Modelling And Synthesis Of Nanomaterials
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Author : Ihsan Boustani
language : en
Publisher: Springer Nature
Release Date : 2020-07-14

Molecular Modelling And Synthesis Of Nanomaterials written by Ihsan Boustani and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-07-14 with Technology & Engineering categories.


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.



Nanoclusters And Nanostructured Surfaces


Nanoclusters And Nanostructured Surfaces
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Author : Asok K. Ray
language : en
Publisher:
Release Date : 2010

Nanoclusters And Nanostructured Surfaces written by Asok K. Ray and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010 with Microclusters categories.




Self Assembled Organic Inorganic Nanostructures


Self Assembled Organic Inorganic Nanostructures
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Author : Christian von Borczyskowski
language : en
Publisher: CRC Press
Release Date : 2017-03-27

Self Assembled Organic Inorganic Nanostructures written by Christian von Borczyskowski and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-03-27 with Science categories.


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.



Theoretical Modeling Of Organohalide Perovskites For Photovoltaic Applications


Theoretical Modeling Of Organohalide Perovskites For Photovoltaic Applications
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Author : Giacomo Giorgi
language : en
Publisher: CRC Press
Release Date : 2017-07-12

Theoretical Modeling Of Organohalide Perovskites For Photovoltaic Applications written by Giacomo Giorgi and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-07-12 with Science categories.


Perovskites are a class of recently discovered crystals with a multitude of innovative applications. In particular, a lead role is played by organic-inorganic halide perovskites (OIHPs) in solar devices. In 2013 Science and Nature selected perovskite solar cells as one of the biggest scientific breakthroughs of that year. This book provides the first comprehensive account of theoretical aspects of perovskite solar cells, starting at an introductory level but covering the latest cutting-edge research. Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications aims to provide a theoretical standpoint on OIHPs and on their photovoltaic applications, with particular focus on the issues that are still limiting their usage in solar cells. This book explores the role that organic cations and defects play in the material properties of OIHPs and their effects on the final device, in addition to discussing the electric properties of OIHPs; the environmentally friendly alternatives to the use of lead in their structural and electronic properties; theoretical screening for OIHP-related material for solar-to-energy conversion; and the nature and the behavior of quasiparticles in OIHPs.



Inorganic Nanoparticles


Inorganic Nanoparticles
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Author : Claudia Altavilla
language : en
Publisher: CRC Press
Release Date : 2017-12-19

Inorganic Nanoparticles written by Claudia Altavilla and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-12-19 with Technology & Engineering categories.


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.



Computational Materials Discovery


Computational Materials Discovery
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Author : Artem R Oganov
language : en
Publisher: Royal Society of Chemistry
Release Date : 2018-10-30

Computational Materials Discovery written by Artem R Oganov and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-30 with Science categories.


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.



Characterization Of Semiconductor Heterostructures And Nanostructures


Characterization Of Semiconductor Heterostructures And Nanostructures
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Author : Giovanni Agostini
language : en
Publisher: Elsevier
Release Date : 2011-08-11

Characterization Of Semiconductor Heterostructures And Nanostructures written by Giovanni Agostini and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-08-11 with Science categories.


In the last couple of decades, high-performance electronic and optoelectronic devices based on semiconductor heterostructures have been required to obtain increasingly strict and well-defined performances, needing a detailed control, at the atomic level, of the structural composition of the buried interfaces. This goal has been achieved by an improvement of the epitaxial growth techniques and by the parallel use of increasingly sophisticated characterization techniques and of refined theoretical models based on ab initio approaches. This book deals with description of both characterization techniques and theoretical models needed to understand and predict the structural and electronic properties of semiconductor heterostructures and nanostructures. - Comprehensive collection of the most powerful characterization techniques for semiconductor heterostructures and nanostructures - Most of the chapters are authored by scientists that are among the top 10 worldwide in publication ranking of the specific field - Each chapter starts with a didactic introduction on the technique - The second part of each chapter deals with a selection of top examples highlighting the power of the specific technique to analyze the properties of semiconductors



Theory Modeling And Numerical Simulation


Theory Modeling And Numerical Simulation
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Author : Veena Tikare
language : en
Publisher: Trans Tech Publications Ltd
Release Date : 2008-04-07

Theory Modeling And Numerical Simulation written by Veena Tikare and has been published by Trans Tech Publications Ltd this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-04-07 with Technology & Engineering categories.


Selected, peer reviewed papers from the Symposium: Theory, Modeling and Numerical Simulation of Multi-Physics Materials Behavior organized within the MRS Fall Meeting 2007 held in Boston MA, USA, November 26-30, 2007