Simulation and Modeling of Nanomaterials

Simulation and Modeling of Nanomaterials

This Special Issue focuses on computational detailed studies (simulation, modeling, and calculations) of the structures, main properties, and peculiarities of the various nanomaterials (nanocrystals, nanoparticles, nanolayers, nanofibers, nanotubes, etc.) based on various elements, including organic...

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Bibliographic Details
Format: eBook
Language:English
Published: Basel MDPI - Multidisciplinary Digital Publishing Institute 2022
Subjects:
Physics
Research & information: general
absorption
adsorption and sensing
antireflection coating
atomistic simulation
band gap
chirality
computer simulation
core-shell bi-magnetic nanoparticles
crystal plasticity
decomposition components of SF6
defects
density functional theory
DFT
DFT calculations
dipeptides
diphenylalanine
dipole moments
domains
Drude absorption
dual shells
electronic density of states
electronic properties
ferroelectrics
finite-difference time-domain method
fitting
graphene
helical structures
heterostructures
homogeneous switching
hybrid density functional
hydroxyapatite
hydroxyapatite bioceramics
III-nitride
interfacial exchange
Ir-modified MoS2
iron doping
kinetics
LGD theory
machine learning
magnetism
modeling
molecular modeling
molecular modelling
Monte Carlo simulation
nanomaterials
nanoscale ferroelectrics
nanostructured polymer film
negative capacitance
off-resonance
optoelectronic devices
peptide nanotubes
phenylalanine
photocurrent
plasmon-induced transparency
plasmons
plastic flow
polarization
polarization conversion
polycrystalline aluminum
protein secondary structure
self-assembly
semi-empirical methods
silicon
single nanowires
slow light
strontium titanate
structural and optical properties
structure
substitutions
terahertz
transition-metal oxide clusters
tunnel junction
vacancies
water molecules
X-ray absorption spectroscopy
yield surface
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