Modeling, Characterization and Production of Nanomaterials

Informationen zum Autor Professor Vinod Tewary! National Institute for Standards and Technology (NIST)! USA Professor Yong Zhang! University of North Carolina! USA. Klappentext 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. Zusammenfassung Part one covers modeling techniques incorporating quantum mechanical effects to simulate nanomaterials and devices. Part two describes the characterization of nanomaterials using diffraction techniques and Raman spectroscopy. Part three looks at the structure and properties of nanomaterials. Part four explores nanofabrication and nanodevices. Inhaltsverzeichnis List of contributors Woodhead Publishing Series in Electronic and Optical Materials Part One: Modeling techniques for nanomaterials 1: Multiscale modeling of nanomaterials: recent developments and future prospects Abstract 1.1 Introduction 1.2 Methods 1.3 Nanomaterials 1.4 Application examples 1.5 Conclusion 2: Multiscale Green's functions for modeling of nanomaterials Abstract Acknowledgments 2.1 Introduction 2.2 Green's function method: the basics 2.3 Discrete lattice model of a solid 2.4 Lattice statics Green's function 2.5 Multiscale Green's function 2.6 Causal Green's function for temporal modeling 2.7 Application to 2D graphene 2.8 Conclusions and future work 3: Numerical simulation of nanoscale systems and materials Abstract Acknowledgments 3.1 Introduction 3.2 Molecular statics and dynamics: an overview 3.3 Static calculations of strain due to interface 3.4 Dynamic calculations of kinetic frictional properties 3.5 Fundamental properties of dynamic ripples in graphene 3.6 Conclusions and general remarks Disclaimer Part Two: Characterization techniques for nanomaterials 4: TEM studies of nanostructures Abstract Acknowledgments 4.1 Introduction 4.2 Polarity determination and stacking faults of 1D ZnO nanostructures 4.3 Structure analysis of superlattice nanowire by TEM: a case of SnO2 (ZnO:Sn)n nanowire 4.4 TEM analysis of 1D nanoheterostructure 4.5 Concluding remarks 5: Characterization of strains and defects in nanomaterials by diffraction techniques Abstract Acknowledgments 5.1 Introduction 5.2 Section 1: diffraction profile shift due to residual strains/stresses 5.3 Section 1: conclusions 5.4 Section 2: diffraction profile broadening due to crystalline defects and strains and their influence on ferroelectric thin films 5.5 Section 2: conclusions 6: Recent advances in thermal analysis of nanoparticles: methods, models and kinetics Abstract 6.1 Introduction 6.2 Thermal analysis methods 6.3 Thermal analysis of nanoparticle purity and composition 6.4 Evaluation of nanoparticle-containing composites 6.5 Monitoring kinetics of thermal transitions 6.6 Trends in development of thermal analysis for nanoparticles 6.7 Conclusions 7: Raman spectroscopy and molecular simulation studies of graphitic nanomaterials Abstract 7.1 Introduction 7.2 Literature review 7.3 Methodology 7.4 Temperature-dependent Raman spectra 7.5 Application of MD to SWCNT structural analysis 7.6 Conclusion Part Three: Structure and properties of nanomaterials: ...

Autorentext

Professor Vinod Tewary, National Institute for Standards and Technology (NIST), USA Professor Yong Zhang, University of North Carolina, USA.

Klappentext

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.

Zusammenfassung
Part one covers modeling techniques incorporating quantum mechanical effects to simulate nanomaterials and devices. Part two describes the characterization of nanomaterials using diffraction techniques and Raman spectroscopy. Part three looks at the structure and properties of nanomaterials. Part four explores nanofabrication and nanodevices.

Inhalt

List of contributors Woodhead Publishing Series in Electronic and Optical Materials Part One: Modeling techniques for nanomaterials 1: Multiscale modeling of nanomaterials: recent developments and future prospects

• Abstract
• 1.1 Introduction
• 1.2 Methods
• 1.3 Nanomaterials
• 1.4 Application examples

• 1.5 Conclusion 2: Multiscale Green's functions for modeling of nanomaterials

• Abstract
• Acknowledgments
• 2.1 Introduction
• 2.2 Green's function method: the basics
• 2.3 Discrete lattice model of a solid
• 2.4 Lattice statics Green's function
• 2.5 Multiscale Green's function
• 2.6 Causal Green's function for temporal modeling
• 2.7 Application to 2D graphene

• 2.8 Conclusions and future work 3: Numerical simulation of nanoscale systems and materials

• Abstract
• Acknowledgments
• 3.1 Introduction
• 3.2 Molecular statics and dynamics: an overview
• 3.3 Static calculations of strain due to interface
• 3.4 Dynamic calculations of kinetic frictional properties
• 3.5 Fundamental properties of dynamic ripples in graphene
• 3.6 Conclusions and general remarks

• Disclaimer Part Two: Characterization techniques for nanomaterials 4: TEM studies of nanostructures

• Abstract
• Acknowledgments
• 4.1 Introduction
• 4.2 Polarity determination and stacking faults of 1D ZnO nanostructures
• 4.3 Structure analysis of superlattice nanowire by TEM: a case of SnO2 (ZnO:Sn)n nanowire
• 4.4 TEM analysis of 1D nanoheterostructure

• 4.5 Concluding remarks 5: Characterization of strains and defects in nanomaterials by diffraction techniques

• Abstract
• Acknowledgments
• 5.1 Introduction
• 5.2 Section 1: diffraction profile shift due to residual strains/stresses
• 5.3 Section 1: conclusions
• 5.4 Section 2: diffraction profile broadening due to crystalline defects and strains and their influence on ferroelectric thin films

• 5.5 Section 2: conclusions 6: Recent advances in thermal analysis of nanoparticles: methods, models and kinetics

• Abstract
• 6.1 Introduction
• 6.2 Thermal analysis methods
• 6.3 Thermal analysis of nanoparticle purity and composition
• 6.4 Evaluation of nanoparticle-containing composites
• 6.5 Monitoring kinetics of thermal transitions
• 6.6 Trends in development of thermal analysis for nanoparticles

• 6.7 Conclusions 7: Raman spectroscopy and molecular simulation studies of graphitic nanomaterials

• Abstract
• 7.1 Introduction
• 7.2 Literature review
• 7.3 Methodology
• 7.4 Temperature-de…