Modeling, Characterization and Production of Nanomaterials

Electronics, Photonics and Energy Applications

1st Edition - March 17, 2015
Language: English
Hardback ISBN:
9 7 8 - 1 - 7 8 2 4 2 - 2 2 8 - 0
eBook ISBN:
9 7 8 - 1 - 7 8 2 4 2 - 2 3 5 - 8

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, an… Read more

Modeling, Characterization and Production of Nanomaterials

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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.

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

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