ADVANCES IN NANOSTRUCTURES : processing and methodology to grow nanostructures.
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| Format: | Elektronički e-knjiga |
|---|---|
| Jezik: | engleski |
| Izdano: |
[S.l.] :
ELSEVIER - HEALTH SCIENCE,
2024.
|
| Serija: | Micro and Nano Technologies Series.
|
| Teme: | |
| Online pristup: | ScienceDirect |
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| 245 | 0 | 0 | |a ADVANCES IN NANOSTRUCTURES : |b processing and methodology to grow nanostructures. |
| 260 | |a [S.l.] : |b ELSEVIER - HEALTH SCIENCE, |c 2024. | ||
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| 490 | 1 | |a Micro and Nano Technologies Series | |
| 504 | |a References -- 2 Mathematical aspects of physical properties of nanostructures -- 2.1 Introduction -- 2.1.1 Energy band gap -- 2.1.1.1 Mathematical formulations -- 2.1.2 Dielectric constant -- 2.1.3 Debye temperature -- 2.1.3.1 Analytical formulation -- 2.1.4 Photoelectric properties -- 2.2 Conclusion -- References -- 3 Theoretical methods for physical characterization of nanostructures -- 3.1 Introduction -- 3.2 Density functional theory and its applications -- 3.2.1 Fundamentals of density functional theory -- 3.2.2 Applications in material science -- 3.2.2.1 Structural optimization | ||
| 505 | 0 | |a 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 | |
| 505 | 8 | |a 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 | |
| 505 | 8 | |a 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 | |
| 505 | 8 | |a 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 | |
| 650 | 0 | |a Nanostructured materials. | |
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