Tm-Doped Zno Monolayers as Indoor Toxic Gas Sensors: A First-Principles Study
Zengming Qin,
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ZeJun Xu,
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Xiufu Sun
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et al.
Published: Jan. 1, 2025
Indoor
air
pollution,
especially
the
pollution
caused
by
volatile
toxic
gases,
poses
significant
risks
to
health
and
therefore
requires
effective
monitoring.
Based
on
density
functional
theory,
adsorption
performance
of
ZnO
with
vacancy
defects
modified
transition
metals
(Ag,
Au,
Pd,
Rh
Ru)
for
gases
(C6H6,
HCHO,
NH3)
was
studied
through
systematic
analysis
structure,
band
charge
transfer,
states.
The
calculation
results
indicate
that
doping
can
form
stable
structures
ZnO.
For
C6H6
gas
molecules,
although
interactions
in
all
TM-ZnO
systems
are
mainly
physical
adsorption,
HCHO
NH3
molecules
exhibit
chemical
behavior
Rh-ZnO
Ru-ZnO
surfaces.
conductivity
model
changes
varying
degrees.
Except
low
sensitivity
Pd-ZnO
system,
other
high
sensitivity.
Furthermore,
at
room
temperature,
Au-ZnO/C6H6,
Ru-ZnO/C6H6,
Rh-ZnO/HCHO,
Rh-ZnO/NH3
Ru-ZnO/NH3
good
recovery
times.
study
sensing
mechanism
is
great
significance.
This
research
elucidates
capability
metal
doped
monolayers,
laying
foundation
development
indoor
devices.
These
insights
contribute
advanced
technologies.
Language: Английский
TM-Doped ZnO Monolayers as Indoor Toxic Gas Sensors: A First-Principles Study
ZengMing Qin,
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ZeJun Xu,
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Xue‐Long Sun
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et al.
Surfaces and Interfaces,
Journal Year:
2025,
Volume and Issue:
unknown, P. 106539 - 106539
Published: April 1, 2025
Language: Английский
Adsorption of LIBs Thermal Runaway Gases on TM-Decorated HfS2 Surface: A DFT Study
Langmuir,
Journal Year:
2024,
Volume and Issue:
40(27), P. 14099 - 14109
Published: June 26, 2024
With
the
wide
application
of
lithium-ion
batteries
(LIBs)
in
different
fields,
safety
accidents
occur
frequently.
Therefore,
it
is
necessary
to
monitor
thermal
runaway
gas
for
an
early
warning.
In
this
article,
adsorption
properties
characteristic
gases
LIBs
are
studied
by
density
functional
theory
(DFT).
The
structure
TM
(Co/Rh/Ir)-decorated
HfS2
(TM@HfS2)
established,
and
its
C2H4,
CH4,
CO
studied.
energy,
charge
transfer,
band,
DOS,
difference
density,
work
function,
recovery
time
discussed
detail.
results
show
that
Ir@HfS2
has
strongest
performance
C2H4
CO,
so
can
be
stably
adsorbed
on
surface
monolayer.
energy
CH4
Co@HfS2
stronger
than
those
Rh@HfS2
Ir@HfS2,
but
still
very
small.
By
applying
biaxial
strain
Co@HfS2,
we
found
increases
with
increase
negative
strain.
This
study
provides
a
theoretical
basis
regulation
transition
metals.
Language: Английский
Adsorption behavior of SF6 partial discharge decomposition components on metal (Pt, Pd) modified ZnO surfaces
Langlang Lv,
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Kexin Zhu,
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Xiangyu Wang
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et al.
Computational and Theoretical Chemistry,
Journal Year:
2024,
Volume and Issue:
1241, P. 114860 - 114860
Published: Sept. 11, 2024
Language: Английский
High Selectivity MEMS C2H2 Sensor for Transformer Fault Characteristic Gas Detection**
Analysis & Sensing,
Journal Year:
2024,
Volume and Issue:
4(6)
Published: June 27, 2024
Abstract
Acetylene
(C
2
H
),
as
an
important
characteristic
gas
in
transformer
fault
diagnosis,
should
be
accurately
detected
and
effectively
distinguished
from
other
dissolved
gases
(H
,
CH
4
C
6
CO,
CO
which
is
crucial
to
determine
whether
the
occurs
type,
but
also
faces
challenges
now.
The
rational
design
employment
of
rare
earth
noble
metals
are
expected
address
this
issue.
In
work,
SnO
‐3
at%
Sm
O
3
‐1
PdO
based
MEMS
sensor
was
prepared
achieve
high
performance
detection
has
a
response
value
56
50
ppm
response/recovery
time
s/136
s,
lower
limit
1
ppm,
power
consumption
15.5
mW,
weak
cross
sensitivity
gases.
Lewis
acids
bases
theory
used
explain
reason
why
benefit
element
improve
selectivity
.
formation
oxygen
vacancies
hetero
junctions
increased
material.
This
study
proved
feasibility
potential
additives
enable
advanced
gas‐sensitive
materials
for
highly
selective
detection.
Language: Английский
Influence of pH on Room-Temperature Synthesis of Zinc Oxide Nanoparticles for Flexible Gas Sensor Applications
Fazia Mechai,
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Ahmad Al Shboul,
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Mohand Outahar Bensidhoum
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et al.
Chemosensors,
Journal Year:
2024,
Volume and Issue:
12(5), P. 83 - 83
Published: May 16, 2024
This
research
contributes
to
work
on
synthesizing
zinc
oxide
nanoparticles
(ZnO
NPs)
at
room
temperature
(RT)
and
their
utilization
in
flexible
gas
sensors.
RT
ZnO
NP
synthesis
with
a
basicity
solution
(pH
≈
13)
demonstrates
an
efficient
method
for
well-crystalline
NPs
(RT.pH13)
comparable
those
synthesized
by
the
hydrothermal
(hyd.C).
The
RT.pH13
achieved
high
thermal
stability
minimal
organic
reside
impurities
(~4.2
wt%),
30–80
nm
particle
size
distribution,
specific
surface
area
(14
m2
g−1).
pre-
post-calcinated
were
then
incorporated
into
sensors
sensing
applications
ambient
conditions
(RT
relative
humidity
of
30–50%).
pre-calcinated
ZnO-based
sensor
demonstrated
superior
sensitivity
styrene
acetic
acid
lower
dimethyl-6-octenal.
calcinated
(RT.pH13.C)
exhibited
acid,
but
heightened
benzene,
acetone,
ethanol.
suggests
correlation
between
structural
transformations
following
calcination.
investigation
mechanisms
highlighted
role
properties
sensors’
affinity
molecules
variations.
study
further
explored
mechanical
flexibility,
which
is
crucial
Internet
Things
(IoT)
applications.
Language: Английский
High response acetone sensor with ppb detection based on Pd-Pt/ZnO nanoflowers in-situ grown on planar substrates
Yanhu Li,
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Mei Chen,
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Linghong Xue
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et al.
Materials Science in Semiconductor Processing,
Journal Year:
2024,
Volume and Issue:
186, P. 109100 - 109100
Published: Nov. 9, 2024
Language: Английский
Dual-configuration Pd4 facilitates Janus SnSSe monolayer capture of electrical equipment fault gases (C2H2, C2H4, CO): A DFT Study
Guozhi Lin,
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Haonan Xie,
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Hao Wu
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et al.
Colloids and Surfaces A Physicochemical and Engineering Aspects,
Journal Year:
2024,
Volume and Issue:
unknown, P. 136015 - 136015
Published: Dec. 1, 2024
Language: Английский
Ammonia Sensing Performance at Room Temperature of Ca-Doped CNFs/Al2O3 Gas Sensor
He Gong,
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Lingyun Ni,
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Hongli Chao
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et al.
ACS Omega,
Journal Year:
2024,
Volume and Issue:
9(42), P. 42932 - 42943
Published: Oct. 10, 2024
When
NH3
in
the
environment
exceeds
a
certain
concentration,
it
may
have
adverse
effects
on
human
health.
Ammonia
gas
sensors
currently
market
usually
work
under
high
temperatures
and
are
not
only
expensive
but
also
poor
performance
terms
of
selectivity.
Therefore,
preparation
an
ammonia
sensor
that
works
at
room
temperature,
is
low
cost,
has
sensitivity
selectivity
particularly
important.
This
paper
introduces
temperature
based
Ca-doped
CNFs/Al2O3
nanocomposite
material,
prepared
using
electrospinning,
pre-oxidation,
carbonization
processes.
The
surface
morphology,
microstructure,
chemical
composition
materials
been
characterized
by
scanning
electron
microscopy,
Raman,
X-ray
photoelectron
spectroscopy.
excellent
for
to
other
volatile
gases
such
as
ethanol,
dimethylformamide,
HCl,
methanol.
At
100
ppm
NH3,
response
value
can
reach
22.73,
demonstrating
repeatability
long-term
stability.
Its
affected
environmental
humidity,
providing
great
convenience
practical
applications.
In
addition,
we
discuss
sensing
mechanism
sensor.
provides
effective
methods
development
high-performance
expected
play
role
field
monitoring.
Language: Английский