Modeling, Characterization and Production of Nanomaterials: Electronics, Photonics and Energy Applications(Woodhead Publishing Series in Electronic and Optical Materials)

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.

Table of Contents:
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: modeling and its experimental applications 8: Carbon-based nanomaterials Abstract 8.1 Introduction 8.2 Outline 8.3 Electronic structure of graphite 8.4 Types of CNTs 8.5 Types of nanoribbons 8.6 DOS and quantum capacitance 8.7 CNT tunnel FETs 8.8 ITRS requirements—2024 8.9 Comparison between a CNT-MOSFET and TFET 8.10 Carbon nanotube vs. graphene nanoribbon 8.11 Summary 9: Atomic behavior and structural evolution of alloy nanoparticles during thermodynamic processes Abstract 9.1 Introduction 9.2 Simulation method 9.3 Results and discussion 9.4 Conclusions and future outlook Part Four: Nanofabrication and nanodevices: modeling and applications 10: Metallic nanoparticles for catalysis applications Abstract Acknowledgments 10.1 Introduction 10.2 Synthesis of nanoalloys and preparation of nanocatalysts 10.3 Structural characterizations of nanoalloy catalysts 10.4 Applications in heterogeneous catalysis 10.5 Summary and future perspectives 11: Physical approaches to tuning luminescence process of colloidal quantum dots and applications in optoelectronic devices Abstract 11.1 Introduction 11.2 Annealing effect on the luminescence of CQDs and WLE by single-size CQDs 11.3 Photooxidation effect on the luminescence of CQDs 11.4 Plasmonic coupling effect on the luminescence of CQDs 11.5 Microscale fluorescent color patterns realized by plasmonic coupling 11.6 CQDs applications in white LEDs 11.7 Conclusions and future trends 12: Growth of GaN-based nanorod heterostructures (core-shell) for optoelectronics and their nanocharacterization Abstract 12.1 Introduction 12.2 MOVPE growth of InGaN/GaN core-shell heterostructures 12.3 Nanocharacterization: structure and optics 12.4 Conclusions for nitride wire-LEDs practical issues 13: Graphene photonic structures Abstract Acknowledgments 13.1 Introduction 13.2 Growth of 3C-SiC thin film on Si (111) using MBE 13.3 Laser-induced conversion from 3C-SiC thin film to graphene 13.4 Patterning of periodic graphene micro- or nanostructure for photonic application 13.5 Conclusions 14: Nanophotonics: From quantum confinement to collective interactions in metamaterial heterostructures Abstract Acknowledgments 14.1 Introduction 14.2 Atomistic modeling of low-dimensional materials: modeling collective modes with DFT 14.3 Spectral properties of multilayer structures Disclaimer 14.4 Sources of further information 15: Plasma deposition and characterization technologies for structural and coverage optimization of materials for nanopatterned devices Abstract 15.1 Introduction 15.2 Need for structural engineering of patterned structures 15.3 Deposition technology and source design for nanopatterned devices 15.4 Use of advanced metrology on patterned features to optimize deposition technologies and enhance performance of nanopatterned devices 15.5 Examples of optimized nanopatterned devices 15.6 Commentary on future trends 15.7 Instructive sources related to deposition technology and structural engineering of films 16: Calculation of bandgaps in nanomaterials using Harbola-Sahni and van Leeuwen-Baerends potentials Abstracts 16.1 Introduction 16.2 Band-gap calculations in density-functional theory and derivative discontinuity of Kohn-Sham potential 16.3 Kohn-Sham potential in terms of the orbitals: exact exchange and HS potential 16.4 Calculation of bandgaps for bulk materials using the HS potential 16.5 Density-based calculations using the vLB potential 16.6 Application to clusters of graphene and hexagonal boron nitride 16.7 Discussion and concluding remarks 17: Modeling and simulation of nanomaterials in fluids: nanoparticle self-assembly Abstract Acknowledgments 17.1 Introduction 17.2 Experimental techniques 17.3 Modeling and analysis 17.4 Simulation methods 17.5 Statistical inference and model selection 17.6 Direct study of nanofluids 17.7 Conclusion and future trends 17.8 Sources of further information 18: Atomistic modeling of nanostructured materials for novel energy application Abstract 18.1 Introduction 18.2 Overview of computational methods 18.3 Selected topics of modeling nanomaterials for energy nanotechnology 18.4 Summary and perspective 19: The mechanical and electronic properties of two-dimensional superlattices Abstract Acknowledgments 19.1 Introduction 19.2 Synthesis of 2D hybrid-domain superlattices 19.3 Mechanical properties of heterostructures 19.4 Electronic properties of hybrid-domain superlattices 19.5 Perspectives and concluding remarks 20: Nanostructured two-dimensional materials Abstract Acknowledgments 20.1 Layered two-dimensional semiconductors as competitive rivals of graphene 20.2 Improvement of fabrication methods for 2D semiconductors 20.3 Future trends Index

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