Sensors,
Год журнала:
2024,
Номер
24(18), С. 5967 - 5967
Опубликована: Сен. 14, 2024
Using
first-principles
theory,
this
work
purposes
Ru-doped
Janus
WSSe
(Ru-WSSe)
monolayer
as
a
potential
gas
sensor
for
detection
of
three
typical
species
(CO,
C2H2,
and
C2H4),
in
order
to
evaluate
the
operation
status
oil-immersed
transformers.
The
Ru-doping
behavior
on
surface
is
analyzed,
giving
rise
preferred
doping
site
by
replacement
Se
atom
with
formation
energy
0.01
eV.
adsorption
onto
Ru-WSSe
conducted,
chemisorption
identified
all
systems
following
order:
CO
(−2.22
eV)
>
C2H2
(−2.01
C2H4
(−1.70
eV).
Also,
modulated
electronic
properties
frontier
molecular
orbital
are
investigated
uncover
sensing
mechanism
upon
gases.
Results
reveal
that
responses
monolayer,
based
variation
gap,
CO,
molecules
calculated
be
1.67
×
106,
2.10
105,
9.61
103,
respectively.
Finally,
impact
existence
O2
molecule
also
analyzed
practical
application
air
atmosphere.
obtained
high
electrical
manifest
strong
resistive
findings
hold
implications
development
novel
materials
monolayer.
We
anticipate
our
results
will
inspire
further
research
domain,
particularly
applications
engineering
where
reliable
fault
gases
paramount
maintaining
integrity
safety
power
systems.
Physical Chemistry Chemical Physics,
Год журнала:
2024,
Номер
26(23), С. 16603 - 16615
Опубликована: Янв. 1, 2024
This
investigation
delves
into
the
adsorption
characteristics
of
CO,
NO,
NO
2
,
NH
3
and
O
on
two-dimensional
(2D)
Janus
group-III
materials,
specifically
Al
XY
B
XY.
