Structural Stability and Optical Properties of Nanomaterials with Reconstructed Surfaces

Structural Stability and Optical Properties of Nanomaterials with Reconstructed Surfaces PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 157405

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Book Description
The authors present density functional and quantum Monte Carlo calculations of the stability and optical properties of semiconductor nanomaterials with reconstructed surfaces. they predict the relative stability of silicon nanostructures with reconstructed and unreconstructed surfaces, and show that surface step geometries unique to highly curved surfaces dramatically reduce the optical gaps and decrease excitonic lifetimes. These predictions provide an explanation of both the variations in the photoluminescence spectra of colloidally synthesized nanoparticles and observed deep gap levels in porous silicon.

Structural Stability and Optical Properties of Nanomaterials with Reconstructed Surfaces

Structural Stability and Optical Properties of Nanomaterials with Reconstructed Surfaces PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 157405

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Book Description
The authors present density functional and quantum Monte Carlo calculations of the stability and optical properties of semiconductor nanomaterials with reconstructed surfaces. they predict the relative stability of silicon nanostructures with reconstructed and unreconstructed surfaces, and show that surface step geometries unique to highly curved surfaces dramatically reduce the optical gaps and decrease excitonic lifetimes. These predictions provide an explanation of both the variations in the photoluminescence spectra of colloidally synthesized nanoparticles and observed deep gap levels in porous silicon.

Modeling, Characterization and Production of Nanomaterials

Modeling, Characterization and Production of Nanomaterials PDF Author:
Publisher: Elsevier
ISBN: 1782422358
Category : Technology & Engineering
Languages : en
Pages : 555

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Book Description
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

Advanced Nanomaterials and Their Applications in Renewable Energy

Advanced Nanomaterials and Their Applications in Renewable Energy PDF Author: Jingbo Louise Liu
Publisher: Elsevier
ISBN: 0128017082
Category : Technology & Engineering
Languages : en
Pages : 461

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Book Description
Advanced Nanomaterials and Their Applications in Renewable Energy presents timely topics related to nanomaterials' feasible synthesis and characterization, and their application in the energy fields. In addition, the book provides insights and scientific discoveries in toxicity study, with information that is easily understood by a wide audience. Advanced energy materials are important in designing materials that have greater physical, electronic, and optical properties. This book emphasizes the fundamental physics and chemistry underlying the techniques used to develop solar and fuel cells with high charge densities and energy conversion efficiencies. New analytical techniques (synchronous X-ray) which probe the interactions of particles and radiation with matter are also explored, making this book an invaluable reference for practitioners and those interested in the science. - Provides a comprehensive review of solar energy, fuel cells, and gas storage from 2010 to the present - Reviews feasible synthesis and modern analytical techniques used in alternative energy - Explores examples of research in alternative energy, including current assessments of nanomaterials and safety - Contains a glossary of terms, units, and historical benchmarks - Presents a useful guide that will bring readers up to speed on historical developments in alternative fuel cells

Handbook of Materials Modeling

Handbook of Materials Modeling PDF Author: Sidney Yip
Publisher: Springer Science & Business Media
ISBN: 1402032862
Category : Science
Languages : en
Pages : 2903

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Book Description
The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.

Fundamentals and Applications of Nano Silicon in Plasmonics and Fullerines

Fundamentals and Applications of Nano Silicon in Plasmonics and Fullerines PDF Author: Munir H. Nayfeh
Publisher: Elsevier
ISBN: 0323480586
Category : Science
Languages : en
Pages : 604

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Book Description
Fundamentals and Applications of Nano Silicon in Plasmonics and Fullerines: Current and Future Trends addresses current and future trends in the application and commercialization of nanosilicon. The book presents current, innovative and prospective applications and products based on nanosilicon and their binary system in the fields of energy harvesting and storage, lighting (solar cells and nano-capacitor and fuel cell devices and nanoLEDs), electronics (nanotransistors and nanomemory, quantum computing, photodetectors for space applications; biomedicine (substance detection, plasmonic treatment of disease, skin and hair care, implantable glucose sensor, capsules for drug delivery and underground water and oil exploration), and art (glass and pottery). Moreover, the book includes material on the use of advanced laser and proximal probes for imaging and manipulation of nanoparticles and atoms. In addition, coverage is given to carbon and how it contrasts and integrates with silicon with additional related applications. This is a valuable resource to all those seeking to learn more about the commercialization of nanosilicon, and to researchers wanting to learn more about emerging nanosilicon applications. - Features a variety of designs and operation of nano-devices, helping engineers to make the best use of nanosilicon - Contains underlying principles of how nanomaterials work and the variety of applications they provide, giving those new to nanosilicon a fundamental understanding - Assesses the viability of various nanoslicon devices for mass production and commercialization, thereby providing an important source of information for engineers

Relaxation of the Chemical Bond

Relaxation of the Chemical Bond PDF Author: Chang Q Sun
Publisher: Springer
ISBN: 9814585211
Category : Science
Languages : en
Pages : 816

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Book Description
The aim of this book is to explore the detectable properties of a material to the parameters of bond and non-bond involved and to clarify the interdependence of various properties. This book is composed of four parts; Part I deals with the formation and relaxation dynamics of bond and non-bond during chemisorptions with uncovering of the correlation among the chemical bond, energy band and surface potential barrier (3B) during reactions; Part II is focused on the relaxation of bonds between atoms with fewer neighbors than the ideal in bulk with unraveling of the bond order-length-strength (BOLS) correlation mechanism, which clarifies the nature difference between nanostructures and bulk of the same substance; Part III deals with the relaxation dynamics of bond under heating and compressing with revealing of rules on the temperature-resolved elastic and plastic properties of low-dimensional materials; Part IV is focused on the asymmetric relaxation dynamics of the hydrogen bond (O:H-O) and the anomalous behavior of water and ice under cooling, compressing and clustering. The target audience for this book includes scientists, engineers and practitioners in the area of surface science and nanoscience.

Spectroscopy and Characterization of Nanomaterials and Novel Materials

Spectroscopy and Characterization of Nanomaterials and Novel Materials PDF Author: Prabhakar Misra
Publisher: John Wiley & Sons
ISBN: 3527833692
Category : Technology & Engineering
Languages : en
Pages : 532

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Book Description
Spectroscopy and Characterization of Nanomaterials and Novel Materials Comprehensive overview of nanomaterial characterization methods and applications from leading researchers in the field In Spectroscopy and Characterization of Nanomaterials and Novel Materials: Experiments, Modeling, Simulations, and Applications, the editor Prabhakar Misra and a team of renowned contributors deliver a practical and up-to-date exploration of the characterization and applications of nanomaterials and other novel materials, including quantum materials and metal clusters. The contributions cover spectroscopic characterization methods for obtaining accurate information on optical, electronic, magnetic, and transport properties of nanomaterials. The book reviews nanomaterial characterization methods with proven relevance to academic and industry research and development teams, and modern methods for the computation of nanomaterials’ structure and properties - including machine-learning approaches - are also explored. Readers will also find descriptions of nanomaterial applications in energy research, optoelectronics, and space science, as well as: A thorough introduction to spectroscopy and characterization of graphitic nanomaterials and metal oxides Comprehensive explorations of simulations of gas separation by adsorption and recent advances in Weyl semimetals and axion insulators Practical discussions of the chemical functionalization of carbon nanotubes and applications to sensors In-depth examinations of micro-Raman imaging of planetary analogs Perfect for physicists, materials scientists, analytical chemists, organic and polymer chemists, and electrical engineers, Spectroscopy and Characterization of Nanomaterials and Novel Materials: Experiments, Modeling, Simulations, and Applications will also earn a place in the libraries of sensor developers and computational physicists and modelers.

Dekker Encyclopedia of Nanoscience and Nanotechnology

Dekker Encyclopedia of Nanoscience and Nanotechnology PDF Author: James A. Schwarz
Publisher: CRC Press
ISBN: 9780824750510
Category : Science
Languages : en
Pages : 784

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Book Description


Surface Chemistry of Nanobiomaterials

Surface Chemistry of Nanobiomaterials PDF Author: Alexandru Grumezescu
Publisher: William Andrew
ISBN: 0323428843
Category : Technology & Engineering
Languages : en
Pages : 530

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Book Description
Surface Chemistry of Nanobiomaterials brings together the most recent findings regarding the surface modification of currently used nanomaterials, which is a field that has become increasingly important during the last decade. This book enables the results of current research to reach those who wish to use this knowledge in an applied setting. Leading researchers from around the world present various types of nanobiomaterials, such as quantum dots (QDs), carbon nanotubes, silver nanoparticles, copper oxide, zinc oxide, magnesium oxide, magnetite, hydroxyapatite and graphene, and discuss their related functionalization strategies. This book will be of interest to postdoctoral researchers, professors and students engaged in the fields of materials science, biotechnology and applied chemistry. It will also be highly valuable to those working in industry, including pharmaceutics and biotechnology companies, medical researchers, biomedical engineers and advanced clinicians. - An up-to-date and highly structured reference source for researchers, practitioners and students working in biomedical, biotechnological and engineering fields - A valuable guide to recent scientific developments, covering major and emerging applications of nanomaterials in the biomedical field - Proposes novel opportunities and ideas for developing or improving technologies in nanomedicine and nanobiology

Characterization of the Electronic Structure of Silicon Nanoparticles Using X-ray Absorption and Emission

Characterization of the Electronic Structure of Silicon Nanoparticles Using X-ray Absorption and Emission PDF Author: April Susan Montoya Vaverka
Publisher:
ISBN:
Category :
Languages : en
Pages : 344

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Book Description