Langmuir,
Journal Year:
2024,
Volume and Issue:
40(45), P. 24086 - 24094
Published: Nov. 1, 2024
Gas-insulated
switchgear
(GIS)
plays
an
important
role
as
a
modern
power
distribution
device
in
plants
and
stations,
which
is
commonly
filled
with
SF6
insulating
gas.
During
the
equipment
operation,
inevitable
partial
discharge
causes
to
be
broken
down
into
gas
(SF4,
SOF2,
SO2,
H2S),
degrades
insulation
performance
of
GIS.
This
paper
devoted
detection
removal
SF4
are
not
conducive
insulation,
by
exploring
new
gas-sensing
materials
for
characteristic
detection.
Based
on
first-principles
calculation,
one
hand,
most
stable
adsorption
configurations
rhodium-decorated
gallium
nitride
nanotubes
(Rh-GaNNTs)
systems
were
obtained.
On
other
doping
mechanisms
analyzed
band
structure,
density
states,
deformation
charge
density,
molecular
orbital
theory.
Subsequently,
gas-sensitive
Rh-GaNNTs
these
four
impurity
gases
was
evaluated
analyzing
sensing
response
recovery
time.
The
stability
time
ranked
>
SOF2
SO2
H2S;
order
influence
sensitivity
H2S
≈
SOF2.
Calculation
results
show
potential
Rh-doped
surfaces
reusable
sensors
suggest
their
use
scavengers
remove
especially
ACS Sensors,
Journal Year:
2024,
Volume and Issue:
9(9), P. 4822 - 4832
Published: Sept. 12, 2024
Constructing
van
der
Waals
(vdW)
heterostructures
is
a
prospective
approach
that
essential
for
developing
new
generation
of
functional
two-dimensional
(2D)
materials
and
designing
conceptual
nanodevices.
Using
density-functional
theory
combined
with
nonequilibrium
Green's
function
allows
the
theoretical
systematic
exploration
electronic
structure,
transport
properties,
sensitivity
organic
small
molecules
adsorbed
on
2D
C
Nanoscale Advances,
Journal Year:
2024,
Volume and Issue:
7(1), P. 354 - 369
Published: Nov. 21, 2024
The
adsorption
of
CO
2
,
SO
3
and
H
S
gases
on
pristine
As-doped
tetragonal
boron
nitride
sheets
(BNS)
has
been
studied.
As-doping
significantly
improves
BNS's
process.
Langmuir,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 25, 2025
In
this
observation,
density
functional
theory
calculations
were
carried
out
to
examine
the
adsorption
performance
of
T-graphene
(TG),
T-boron
nitride
(TBN),
and
their
heterostructure
(TG-TBN)
toward
CO,
SO2,
NO,
NO2
gas
molecules.
To
observe
sensing
nanosheets,
energy
with
distance,
charge
transfer,
electronic
properties,
sensitivity,
recovery
time
have
been
investigated.
The
molecules
adsorbed
in
tetragonal
(T)
octagonal
(O)
sites
which
we
found
that
O
site
was
more
favorable.
case
interaction
between
TG
gases,
low
behavior
has
found,
but
TBN
TG-TBN
exhibit
favorable
gases.
Among
four
SO2
interact
chemisorption
energy,
are
-0.911
-1.75
eV,
at
site,
respectively.
During
interaction,
gases
gain
-0.139e
-0.428e
charges
from
TBN.
shows
high
properties
NO
energies
-1.21
-1.35
DOS
spectra
show
extra
states
generated
Fermi
level
on
nanosheets.
Low
times
observed
during
desorption;
TG-TBN,
0.19
1.56
s
T
for
28.32
41.04
molecule.
Therefore,
can
be
used
as
a
sensor
