Adsorption and Detection of SF6 Decomposed Toxic Gases (H2S, SO2, SOF2, SO2F2) on Transition Metal (Fe, Ru, Os) Modified WTe2 Monolayer: A DFT Investigation
Journal of environmental chemical engineering,
Год журнала:
2025,
Номер
unknown, С. 115545 - 115545
Опубликована: Янв. 1, 2025
Язык: Английский
Noble Metal (Cu, Ag, Au) Modified PdPS Monolayers for Adsorption of SF6 Decomposition Gases (H2S, SO2, SOF2, and SO2F2): A Density Functional Theory Investigation
ACS Applied Nano Materials,
Год журнала:
2024,
Номер
7(22), С. 26017 - 26031
Опубликована: Ноя. 7, 2024
Sulfur
hexafluoride
(SF6)
is
extensively
employed
in
gas-insulated
switchgear
(GIS)
due
to
its
exceptional
insulating
and
arc-extinguishing
properties.
However,
operational
failures
like
arcing
or
overheating
can
lead
the
decomposition
of
SF6,
releasing
various
gases
such
as
H2S,
SO2,
SOF2,
SO2F2,
depending
on
fault
type.
The
urgent
need
for
efficient
real-time
sensors
detect
these
highlighted.
This
study
examines
adsorption
characteristics
sensing
materials
based
palladium
phosphide
(PdPS)
composites
with
noble
metals
(Cu,
Ag,
Au)
utilizing
first-principles
density
functional
theory
simulations.
analysis
includes
parameters
distance,
charge
density,
binding
energy,
transfer,
molecular
frontier
orbitals,
desorption
kinetics.
Optimal
embedding
sites
were
identified
at
TP
positions
PdPS
surface,
yielding
energies
−1.529
eV
Cu,
−0.987
−1.04
Au.
Notably,
while
pristine
exhibited
unfavorable
profiles,
Cu-PdPS
composite
demonstrated
significant
capabilities
−1.359
−1.245
−0.902
−0.806
SO2F2.
Desorption
kinetics
reveal
that
Cu-modified
system
offers
rapid
times,
notably
4.24
s
SO2F2
room
temperature,
positioning
it
an
excellent
candidate
ambient
detection.
Additionally,
configuration
shows
enhanced
versatility
across
varying
temperatures,
particularly
excelling
high-temperature
conditions.
findings
underscore
potential
PdPS-based
developing
advanced
sensors,
paving
way
integrating
low-power,
high-sensitivity
monitoring
systems
SF6
gas
detection
GIS
applications,
implications
future
research
toward
AI-driven
models
quantitative
mixture
analysis.
Язык: Английский
Construction of ZnO/MnO2 heterostructure for enhanced ammonia sensitive performances at room temperature
Applied Surface Science,
Год журнала:
2025,
Номер
702, С. 163362 - 163362
Опубликована: Апрель 26, 2025
Язык: Английский
Synthesis and Mechanism of a Green Scale and Corrosion Inhibitor
International Journal of Molecular Sciences,
Год журнала:
2024,
Номер
25(18), С. 10150 - 10150
Опубликована: Сен. 21, 2024
A
new
green
water
treatment
agent,
a
poly(aspartic
acid)-modified
polymer
(PASP/5-AVA),
was
synthesized
using
polysuccinimide
and
5-aminovaleric
acid
(5-AVA)
in
hybrid
system.
The
structure
characterized,
the
scale
corrosion
inhibition
performance
were
carried
out
with
standard
static
electrochemical
methods,
respectively.
mechanism
explored
XRD,
XPS,
SEM,
quantum
chemistry
calculations.
results
indicated
that
PASP/5-AVA
exhibited
better
than
PASP
maintained
efficacy
thermal
stability
of
effect
for
long
time.
Mechanistic
studies
interferes
normal
generation
CaCO
Язык: Английский