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Author:
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ISBN:
Category :
Languages : en
Pages : 15
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Book Description
Nanometer sized diamond has been found in meteorites, proto-planetary nebulae and interstellar dusts, as well as in residues of detonation and in diamond films. Remarkably, the size distribution of diamond nanoparticles appears to be peaked around 2-5 nm, and to be largely independent of preparation conditions. Using ab-initio calculations, we have shown that in this size range nanodiamond has a fullerene-like surface and, unlike silicon and germanium, exhibits very weak quantum confinement effects. We called these carbon nanoparticles bucky-diamonds: their atomic structure, predicted by simulations, is consistent with many experimental findings. In addition, we carried out calculations of the stability of nanodiamond which provided a unifying explanation of its size distribution in extra-terrestrial samples, and in ultra-crystalline diamond films.
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 15
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Book Description
Nanometer sized diamond has been found in meteorites, proto-planetary nebulae and interstellar dusts, as well as in residues of detonation and in diamond films. Remarkably, the size distribution of diamond nanoparticles appears to be peaked around 2-5 nm, and to be largely independent of preparation conditions. Using ab-initio calculations, we have shown that in this size range nanodiamond has a fullerene-like surface and, unlike silicon and germanium, exhibits very weak quantum confinement effects. We called these carbon nanoparticles bucky-diamonds: their atomic structure, predicted by simulations, is consistent with many experimental findings. In addition, we carried out calculations of the stability of nanodiamond which provided a unifying explanation of its size distribution in extra-terrestrial samples, and in ultra-crystalline diamond films.
Author: Jack Deslippe
Publisher:
ISBN:
Category :
Languages : en
Pages : 143
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Book Description
Recent advances in computational physics and chemistry have lead to greater understanding and predictability of the electronic and optical properties of materials. This understanding can be used to impact directly the development of future devices (whose properties depend on the underlying materials) such as light-emitting diodes (LEDs) and photovoltaics. In particular, density functional theory (DFT) has become the standard method for predicting the ground-state properties of solid-state systems, such-as total energies, atomic configurations and phonon frequencies. In the same period, the so called many-body perturbation theory techniques based on the dynamics of the single-particle and two-particle Green's function have become one of the standard methods for predicting the excited state properties associated with the addition of an electron, hole or electron-hole pair into a material. The GW and Bethe-Salpeter equation (GW-BSE) technique is a particularly robust methodology for computing the quasiparticle and excitonic properties of materials. The challenge over the last several years has been to apply these methods to increasingly complex systems. Nano-materials are materials that are very small (on the order of a nanometer) in at least one dimension (e.g. molecules, tubes/rods and sheets). These materials are of great interest for researchers because they exhibit new and interesting physical and electronic properties compared to those of conventional bulk crystals. These physical properties can often be tuned by controlling the geometry of the materials (for example the chiral angle of a nanotube). Various DFT computer packages have been optimized to compute the ground-state properties of large systems and nano-materials. However, the application of the GW-BSE methodology to large systems and large nano-materials is often thought to be too computationally demanding. In this work, we will discuss research towards understanding the electronic and optical properties of nano-materials using (and extending) first-principles computational techniques, namely the GW-BSE technique for applications to large systems and nano-materials in particular. While, the GW-BSE approach has, in the past, been prohibitively expensive on systems with more than 50 atoms, in Chapter 2, we show that through a combination methodological and algorithmic improvements, the standard GW-BSE approach can be applied to systems of 500-1000 atoms or 100 AU x 100 AU x 100 AU unit cells. We show that nearly linear parallel scaling of the GW-BSE methodology can be obtained up to tens of thousands (and beyond) of CPUs on current and future high performance supercomputers. In Chapter 3, we will discuss improving the DFT starting point of the GW-BSE approach through the use of COHSEX exchange-correlations functionals to create a nearly diagonal self-energy matrix. We show applications of this new methodology to molecular systems. In Chapter 4, we discuss the application of the GW-BSE methodology to semiconducting single-walled carbon nanotubes (SWCNTs) and the discovery of novel many-body physics in 1D semiconductors. In Chapter 5, we discuss the application of the GW-BSE methodology to metallic SWCNTs and graphene and the discovery of unexpectedly strong excitonic effects in low-dimensional metals and semi-metals.
Author: Lawrence S. Pan
Publisher: Springer Science & Business Media
ISBN: 1461522579
Category : Technology & Engineering
Languages : en
Pages : 482
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Book Description
The use of diamond for electronic applications is not a new idea. As early as the 1920's diamonds were considered for their use as photoconductive detectors. However limitations in size and control of properties naturally limited the use of diamond to a few specialty applications. With the development of diamond synthesis from the vapor phase has come a more serious interest in developing diamond-based electronic devices. A unique combination of extreme properties makes diamond partiCularly well suited for high speed, high power, and high temperature applications. Vapor phase deposition of diamond allows large area films to be deposited, whose properties can potentially be controlled. Since the process of diamond synthesis was first realized, great progress have been made in understanding the issues important for growing diamond and fabricating electronic devices. The quality of both intrinsic and doped diamond has improved greatly to the point that viable applications are being developed. Our understanding of the properties and limitations has also improved greatly. While a number of excellent references review the general properties of diamond, this volume summarizes the great deal of literature related only to electronic properties and applications of diamond. We concentrate only on diamond; related materials such as diamond-like carbon (DLC) and other wide bandgap semiconductors are not treated here. In the first chapter Profs. C. Y. Fong and B. M. Klein discuss the band structure of single-crystal diamond and its relation to electronic properties.
Author: Wesley Wei-Wen Hsiao
Publisher: John Wiley & Sons
ISBN: 1394202156
Category : Science
Languages : en
Pages : 292
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Book Description
NANODIAMONDS small capIN/small cap ANALYTICAL small capAND/small cap BIOLOGICAL SCIENCES Comprehensive resource highlighting the significance and applications of fluorescent and non-fluorescent nanodiamonds in various domains Nanodiamonds in Analytical and Biological Sciences combines the disciplines of chemistry, physics, materials science, and biology to demonstrate the significance of nanodiamonds, offering precise analysis of the impacts and up-to-date applications of fluorescent and non-fluorescent nanodiamonds, including in COVID-19 and artificial intelligence, with illustrations, case studies, practical examples, and novel perspectives included throughout. Edited by two highly qualified scholars with significant experience in the field, topics covered include: Fundamental properties, synthesis, mechanisms, and functionalization of nanodiamonds, and toxicity assessment Fabrication and surface modification of fluorescent nanodiamonds and in vitro and in vivo bioimaging of fluorescent nanodiamonds Nanodiamond-enabled drug delivery and nanodiamond for mass spectrometry-based analysis of peptides, proteins, and proteomes Quantum sensing, applications in physico-chemical and biomedical sensing, and perspective and outlook on the future of nanodiamond research Nano-scale thermometry of fluorescent nanodiamonds and nanodiamond-enabled drug delivery Offering a balanced, multidisciplinary, and comprehensive overview of the significance of fluorescent and non-fluorescent nanodiamonds, Nanodiamonds in Analytical and Biological Sciences is an essential resource for academic researchers and industry professionals working in fields spanning chemistry, physics, materials science and biology.
Author: Kishore Uppireddi
Publisher:
ISBN:
Category : Chemical vapor deposition
Languages : en
Pages : 320
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Book Description
Author: Huan-Cheng Chang
Publisher: John Wiley & Sons
ISBN: 1119477085
Category : Science
Languages : en
Pages : 294
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Book Description
The most comprehensive reference on fluorescent nanodiamond physical and chemical properties and contemporary applications Fluorescent nanodiamonds (FNDs) have drawn a great deal of attention over the past several years, and their applications and development potential are proving to be manifold and vast. The first and only book of its kind, Fluorescent Nanodiamonds is a comprehensive guide to the basic science and technical information needed to fully understand the fundamentals of FNDs and their potential applications across an array of domains. In demonstrating the importance of FNDs in biological applications, the authors bring together all relevant chemistry, physics, materials science and biology. Nanodiamonds are produced by powerful cataclysmic events such as explosions, volcanic eruptions and meteorite impacts. They also can be created in the lab by high-pressure high-temperature treatment of graphite or detonating an explosive in a reactor vessel. A single imperfection can give a nanodiamond a specific, isolated color center which allows it to function as a single, trapped atom. Much smaller than the thickness of a human hair, a nanodiamond can have a huge surface area that allows it to bond with a variety of other materials. Because of their non-toxicity, nanodiamonds may be useful in biomedical applications, such as drug delivery and gene therapy. The most comprehensive reference on a topic of rapidly increasing interest among academic and industrial researchers across an array of fields Includes numerous case studies and practical examples from many areas of research and industrial applications, as well as fascinating and instructive historical perspectives Each chapter addresses, in-depth, a single integral topic including the fundamental properties, synthesis, mechanisms and functionalisation of FNDs The first book published by the key patent holder with his research group in the field of FNDs Fluorescent Nanodiamonds is an important working resource for a broad range of scientists and engineers in industry and academia. It will also be a welcome reference for instructors in chemistry, physics, materials science, biology and related fields.
Author: Lasse Landt
Publisher: Sudwestdeutscher Verlag Fur Hochschulschriften AG
ISBN: 9783838126319
Category :
Languages : en
Pages : 200
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Book Description
Quantum confinement in low-dimensional semiconductor nanostructures enables materials with tuneable electronic and optical properties. This book discusses three-dimensionally confined structures in diamond, a material with remarkable physical attributes. Data for a series of size and shape-selected, hydrogen-passivated nanodiamonds (diamondoids) are presented. Diamondoids consist of face-fused cages that are perfectly sp -hybridized and thus directly superimposable on the bulk diamond crystal lattice. The present gas phase experiments provide benchmark data as they were obtained under boundary conditions similar to those assumed in typical theoretical investigations. They show that characteristic optical properties for diamond nano-wire, -sheet, and -crystal evolve already in the sub-nm size regime. Most notably, a striking similarity in optical response between a tetrahedral diamondoid and the bulk material is found. Further, diamondoids have been found to luminesce in the UV, making them prospective candidates for optoelectronic applications. Besides their fundamental interest, the current findings disclose considerable technological potential of these new nanocarbon materials."
Author: Jean-Charles Arnault
Publisher: William Andrew
ISBN: 0323430325
Category : Technology & Engineering
Languages : en
Pages : 506
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Book Description
Nanodiamonds: Advanced Material Analysis, Properties and Applications illustrates the complementarity of specific techniques to fully characterize nanodiamonds from their diamond core (crystalline structure, defects, sp2 carbon, impurities, strain) to their surface (surface chemistry, stability of surface groups, reactivity, surface charge, colloidal properties). The relationship between physical and chemical parameters sits at the heart of what this book is about. Recent advances in the synthesis of nanodiamonds either by HPHT or detonation are covered, along with extended characterization of the core and surface of nanodiamonds, focusing on the most advanced experimental tools developed for nanoscale diagnosis. Each technique presented includes presentation of both principles and applications. This combination of advanced characterizations offers readers a better understanding of the relationship that exists between physical and chemical parameters of nanodiamonds and their properties. In particular, the role of structural defects or chemical impurities is illustrated. Toxicity of nanodiamonds for cells is also discussed, as It is an essential issue for their bioapplications. Final sections in the book cover the main promising new advances and applications of nanodiamonds, the formation of hybrids, and their use in polymer and oil composites. - Provides a focused analysis of the relationship between the physical, chemical parameters, and properties of nanodiamonds - Allows the reader to better understand the material characterization of nanodiamonds and how they can be most successfully used - Presents R&D scientists and engineers with the information they need to understand how nanodiamonds can be used to create more efficient products - Includes novel applications, for example, the formation of hybrids based on nanodiamonds, that are covered in detail
Author: Oliver Williams
Publisher: Royal Society of Chemistry
ISBN: 1849736391
Category : Nature
Languages : en
Pages : 552
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Book Description
First comprehensive book on nanodiamonds from leading experts in the field.
Author: Junwen Li
Publisher:
ISBN:
Category :
Languages : en
Pages : 130
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Book Description
