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ADVANCES IN NANOSTRUCTURES : processing and methodology to grow nanostructures.

Bibliographic Details
Corporate Author: ScienceDirect (Online service)
Format: eBook
Language:English
Published: [S.l.] : ELSEVIER - HEALTH SCIENCE, 2024.
Series:Micro and Nano Technologies Series.
Subjects:
Nanostructured materials.
Nanomatériaux.
Electronic books.
Online Access:Connect to the full text of this electronic book
Table of Contents:
  • Front Cover
  • Advances in Nanostructures
  • Copyright Page
  • Contents
  • List of contributors
  • 1 Introduction to nanostructure and their microscopic characterization
  • 1.1 Introduction
  • 1.1.1 Scanning electron microscopy
  • 1.1.2 Transmission electron microscopy
  • 1.1.3 Atomic force microscopy
  • 1.2 Types of nanostructures
  • 1.2.1 Nanoparticles
  • 1.2.2 Nanospheres
  • 1.2.3 Nanowires
  • 1.2.4 Nanobelts
  • 1.2.5 Nanoneedles
  • 1.2.6 Nanotubes
  • 1.2.7 Nanoflowers
  • 1.2.8 Nanocubes
  • 1.2.9 Nanorods
  • 1.2.10 Nanodiscs
  • 1.2.11 Nanohelices
  • 1.2.12 Nanosprings
  • 1.3 Conclusion
  • 3.2.2.1.1 Setup
  • 3.2.2.1.2 Energy calculation
  • 3.2.2.1.3 Gradient-based optimization
  • 3.2.2.1.4 Convergence
  • 3.2.2.1.5 Validation
  • 3.2.2.1.6 Post-optimization analysis
  • 3.2.2.2 Electronic properties
  • 3.2.2.2.1 Energy band structure
  • 3.2.2.2.2 Density of states
  • 3.2.2.2.3 Charge density
  • 3.2.2.2.4 Electronic transport properties
  • 3.2.2.3 Magnetic properties
  • 3.2.2.3.1 Spin-polarized calculations
  • 3.2.2.3.2 Magnetic moments prediction
  • 3.2.2.3.3 Phase transitions analysis
  • 3.2.2.3.4 Magnetic anisotropy determination
  • 3.2.2.3.5 Exchange interactions investigation
  • 3.2.2.3.6 Defects and dopants effects
  • 3.2.2.4 Phonon spectra
  • 3.2.2.4.1 Harmonic approximation
  • 3.2.2.4.2 Density functional perturbation theory
  • 3.2.2.4.3 Superlattice method
  • 3.2.2.4.4 Thermal properties prediction
  • 3.2.3 Application in computational chemistry
  • 3.2.3.1 Reaction mechanisms
  • 3.2.3.2 Binding energies
  • 3.2.3.3 Transition metal complexes
  • 3.2.4 Application in computational material science
  • 3.2.4.1 Nanomaterials
  • 3.2.4.2 Surface chemistry
  • 3.2.4.3 Defects and impurities
  • 3.2.5 Applications in biology
  • 3.2.5.1 Protein structure and dynamics
  • 3.2.5.2 Drug design
  • 3.2.5.3 Biomolecular interactions
  • 3.3 Molecular dynamics simulations for nanoscale systems
  • 3.3.1 Fundamentals of molecular dynamics simulations
  • 3.3.2 Applications in nanoscale systems
  • 3.3.2.1 Nanoparticles and nanomaterials
  • 3.3.2.2 Nanomechanics and nanotribology
  • 3.3.2.3 Nanofluidics and nanoscale transport
  • 3.3.2.4 Protein folding and biomolecular dynamics
  • 3.3.2.5 Nanodevices and nanoelectronics
  • 3.3.2.6 Study of radiation damage
  • 3.4 Monte Carlo simulations and their role
  • 3.4.1 Fundamentals of Monte Carlo simulations