Modeling, Characterization and Production of Nanomaterials
Description
- 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
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Content
- 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
- 10: Metallic nanoparticles for catalysis applications
- 8: Carbon-based nanomaterials
- 4: TEM studies of nanostructures
- 1: Multiscale modeling of nanomaterials: recent developments and future prospects
Woodhead Publishing Series in Electronic and Optical Materials
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