Introduction to Graphene-Based Nanomaterials

Introduction to Graphene-Based Nanomaterials
Author: Luis E. F. Foa Torres
Publisher: Cambridge University Press
Total Pages: 425
Release: 2014-01-23
Genre: Science
ISBN: 1107030838

A detailed primer describing the most effective theoretical and computational methods and tools for simulating graphene-based systems.

Theoretical Chemistry for Advanced Nanomaterials

Theoretical Chemistry for Advanced Nanomaterials
Author: Taku Onishi
Publisher: Springer Nature
Total Pages: 547
Release: 2020-02-03
Genre: Science
ISBN: 9811500061

This book collects recent topics of theoretical chemistry for advanced nanomaterials from the points of view of both computational and experimental chemistry. It is written for computational and experimental chemists, including undergraduate students, who are working with advanced nanomaterials, where collaboration and interplay between computation and experiment are essential. After the general introduction of nanomaterials, several computational approaches are explained in Part II. Each chapter presents not only calculation methods but also concrete calculation results for advanced nanomaterials. Hydride ion conducting nanomaterials, high-k dielectric nanomaterials, and organic electronics are focused on. In Part III, the interplay between computational and experimental approaches is explained. The chapters show calculation results, combined with corresponding experimental data. Dimensionality of nanomaterials, electronic structure of oligomers and nanorods, carbon nanomaterials, and the electronic structure of a nanosized sandwich cluster is looked at carefully. In Part IV, functionality analysis is explained from the point of view of the experimental approach. The emphasis is on the mechanism of photoluminescence and hydrogen generation using silicon nanopowder, the superionic conducting mechanism of glass ceramics, nanoclusters formation on the surface of metal oxides, and the magnetic property of an organic one-dimensional nanochannel. Finally, forthcoming theoretical methods for excited states and quantum dynamics are introduced in Part V.

Nanomaterials: Design and Simulation

Nanomaterials: Design and Simulation
Author: Perla Balbuena
Publisher: Elsevier
Total Pages: 329
Release: 2006-11-02
Genre: Science
ISBN: 0080466834

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

An Introduction to Electronic Structure Theory

An Introduction to Electronic Structure Theory
Author: Nadia T. Paulsen
Publisher: Nova Science Publishers
Total Pages: 197
Release: 2020-09-24
Genre: Science
ISBN: 9781536184778

In An Introduction to Electronic Structure Theory, Quantum Information Theory is applied to donor-acceptor systems. Reaction stages and charge-transfer phenomena are described, continuities of probability and phase distributions are explored, and resultant information descriptors combining classical and nonclassical contributions are summarized.The authors describe the most efficient method for studying the electronic structure of solids, the magnetic dilution method, or the study of the magnetic susceptibility of diluted solid solutions of paramagnetic oxides in diamagnetic isomorphous matrices.A review of the mathematical modeling and investigation of the electronic structure of some nanomaterials, composite materials, and graphene is presented using the Parameterized Model number 3 (PM3) semi-empirical method.A basic introduction of electronic structure theory with commonly used notation is provided, as well as its applications for studying the physical properties of materials.Lastly, based on a concept of "different prescription for different correlation", a multireference Brillouin-Wigner perturbation scheme with improved virtual orbitals is presented as an accurate and affordable computational protocol for treating electronic states plagued by quasidegeneracy.

Nanoalloys

Nanoalloys
Author: Florent Calvo
Publisher: Newnes
Total Pages: 433
Release: 2013-03-12
Genre: Technology & Engineering
ISBN: 0123946166

Nanoalloys: From Fundamentals to Emergent Applications presents and discusses the major topics related to nanoalloys at a time when the literature on the subject remains scarce. Particular attention is paid to experimental and theoretical aspects under the form of broad reviews covering the most recent developments. The book is organized into 11 chapters covering the most fundamental aspects of nanoalloys related to their synthesis and characterization, as well as their theoretical study. Aspects related to their thermodynamics and kinetics are covered as well. The coverage then moves to more specific topics, including optics, magnetism and catalysis, and finally to biomedical applications and the technologically relevant issue of self-assembly.With no current single reference source on the subject, the work is invaluable for researchers as the nanoscience field moves swiftly to full monetization. - Encapsulates physical science of structure, properties, size, composition and ordering at nanoscale, aiding synthesis of experimentation and modelling - Multi-expert and interdisciplinary perspectives on growth, synthesis and characterization of bimetallic clusters and particulates supports expansion of your current research activity into applications - Synthesizes concepts and draws links between fundamental metallurgy and cutting edge nanoscience, aiding interdisciplinary research activity

Toward Functional Nanomaterials

Toward Functional Nanomaterials
Author: Zhiming M Wang
Publisher: Springer Science & Business Media
Total Pages: 488
Release: 2010-03-14
Genre: Technology & Engineering
ISBN: 0387777172

This book presents a detailed overview of recent research developments on functional nanomaterials, including synthesis, characterization, and applications. This state-of-the-art book is multidisciplinary in scope and international in authorship.

Novel Nanomaterials for Biomedical, Environmental and Energy Applications

Novel Nanomaterials for Biomedical, Environmental and Energy Applications
Author: Xiaoru Wang
Publisher: Elsevier
Total Pages: 496
Release: 2018-11-16
Genre: Technology & Engineering
ISBN: 012814498X

Novel Nanomaterials for Biomedical, Environmental, and Energy Applications is a comprehensive study on the cutting-edge progress in the synthesis and characterization of novel nanomaterials and their subsequent advances and uses in biomedical, environmental and energy applications. Covering novel concepts and key points of interest, this book explores the frontier applications of nanomaterials. Chapters discuss the overall progress of novel nanomaterial applications in the biomedical, environmental and energy fields, introduce the synthesis, characterization, properties and applications of novel nanomaterials, discuss biomedical applications, and cover the electrocatalytical and photothermal effects of novel nanomaterials for efficient energy applications. The book will be invaluable to academic researchers and biomedical clinicians working with nanomaterials. - Offers comprehensive details on novel and emerging nanomaterials - Presents a comprehensive view of new and emerging tactics for the synthesis of efficient nanomaterials - Describes and monitors the functions of applications of new and emerging nanomaterials in the biomedical, environmental and energy fields

Noble and Precious Metals

Noble and Precious Metals
Author: Mohindar Seehra
Publisher: BoD – Books on Demand
Total Pages: 432
Release: 2018-07-04
Genre: Technology & Engineering
ISBN: 1789232929

The use of copper, silver, gold and platinum in jewelry as a measure of wealth is well known. This book contains 19 chapters written by international authors on other uses and applications of noble and precious metals (copper, silver, gold, platinum, palladium, iridium, osmium, rhodium, ruthenium, and rhenium). The topics covered include surface-enhanced Raman scattering, quantum dots, synthesis and properties of nanostructures, and its applications in the diverse fields such as high-tech engineering, nanotechnology, catalysis, and biomedical applications. The basis for these applications is their high-free electron concentrations combined with high-temperature stability and corrosion resistance and methods developed for synthesizing nanostructures. Recent developments in all these areas with up-to-date references are emphasized.

Nanomaterials

Nanomaterials
Author: Engg Kamakhya Prasad Ghatak
Publisher: Walter de Gruyter GmbH & Co KG
Total Pages: 432
Release: 2018-11-05
Genre: Science
ISBN: 3110609355

The work studies under different physical conditions the carrier contribution to elastic constants in heavily doped optoelectronic materials. In the presence of intense photon field the authors apply the Heisenberg Uncertainty Principle to formulate electron statistics. Many open research problems are discussed and numerous potential applications as quantum sensors and quantum cascade lasers are presented.