Computational Quantum Physics and Chemistry of Nanomaterials.

Authors :: Šob, Mojmír
Šob, Mojmír
Abstract: Summary: This Special Issue of Nanomaterials collects a series of original research articles providing new insight into the application of computational quantum physics and chemistry in research on nanomaterials. It illustrates the extension and diversity of the field and indicates some future directions. It provides the reader with an overall view of the latest prospects in this fast evolving and cross-disciplinary field

Subjects :: Research & information: general
AlN
BTF
CL-20
CTAB
CsPb2Br5
CsPbBr3
DFT
HSE06 hybrid functional
Si and Al impurity
SnTe
TATB
ab initio
ab initio calculations
atomic cluster
azobenzene
cocrystal
critical size
decahedron
defects
defects binding energies
density functional theory
density-functional theory
dye-sensitized solar cells
electronic structure
energetic materials
environment and health
excess energy
fcc Ni
ferroelectricity
first-principles
first-principles physics
generalized stacking fault energy
gold
grain boundary energy
hazardous gas
high-entropy alloys
interfacial energy
large-scale ab initio molecular dynamics simulations
low-dimensional material
magnetic doping
magnetism
molecular mechanics
n/a
nanoflakes
nanoparticles
nanoribbon
phase transition
segregation energy
shock sensitivity
silver
solvent polarity
surface energy
thermodynamics
tilt Σ5(210) grain boundary
topological insulators
vacancy

Language :: English
ISBN :: 9783036501345
9783036501352
books978-3-0365-0135-2
ISBNs :: 9783036501345, 9783036501352, and 9783036501352
Database :: Jio Institute Digital Library OPAC
Journal :: Computational Quantum Physics and Chemistry of Nanomaterials
Notes :: 004483, New Energy, Open Access star Unrestricted online access, Creative Commons https://creativecommons.org/licenses/by/4.0/ cc https://creativecommons.org/licenses/by/4.0/, English
Publication Type :: eBook
Accession number :: jio.Koha.JDL.1042
Document Type :: Book; Electronic document

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