RSC Advances,
Journal Year:
2025,
Volume and Issue:
15(8), P. 5766 - 5780
Published: Jan. 1, 2025
The
research
examines
the
exceptional
physical
characteristics
of
Mg3AB3
(A
=
N,
Bi;
B
F,
Br,
I)
perovskite
compounds
through
density
functional
theory
to
assess
their
feasibility
for
photovoltaic
applications.
Mechanical
characterization
further
supports
stability
where
out
all
compounds,
Mg3BiI3
demonstrates
high
ductility,
while
Mg3NF3
and
Mg3BiBr3
possess
a
brittle
nature.
calculated
elastic
constants
anisotropy
factors
also
substantiate
mechanical
stability,
there
is
an
observed
declining
trend
in
Debye
temperature
with
increase
atomic
number.
From
electronic
point
view,
can
be
considered
as
wide-bandgap
insulator
bandgap
6.789
eV,
whereas
classified
semiconductors
suitable
applications
bandgaps
1.626
eV
0.867
respectively.
optical
such
materials
are
excellent
pronounced
by
absorption
coefficients,
low
reflectivity,
good
dielectrics,
which
very
important
collection
solar
energy.
Among
them,
light
coefficient,
moderate
electrical
conductivity,
indicating
that
they
quite
applying
photoelectric
conversion
cells.
In
addition,
thermal
analysis
shows
heat
sink
material,
favorable
barrier
coating
materials.
Due
reflectance
both
could
regarded
most
appropriate
creation
next
generation
converters.
Physical Chemistry Chemical Physics,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Jan. 1, 2024
Sr
3
AsX
(X
=
F,
Cl,
Br)
perovskites
showed
many
advantages
over
lead
halide
perovskites,
including
effective
optical
absorption,
enhanced
stability,
variable
bandgap,
excellent
carrier
mobility,
non-toxicity,
and
low
production
costs.
Applied Physics Letters,
Journal Year:
2024,
Volume and Issue:
125(19)
Published: Nov. 4, 2024
This
study
investigates
the
structural,
electronic,
mechanical,
and
optical
properties
of
perovskites
Mg3AsX3
(X
=
F,
Cl,
Br,
I)
using
DFT
SCAPS-1D.
The
tolerance
factor
shows
that
these
materials
are
thermodynamically
stable.
Furthermore,
Mg3AsF3,
Mg3AsCl3,
Mg3AsBr3,
Mg3AsI3
exhibit
direct
bandgaps
3.48,
2.06,
1.26,
0.265
eV,
respectively,
confirming
their
semiconducting
nature.
Mg3AsBr3
stands
out
for
its
ductility
excellent
properties,
such
as
a
high
dielectric
constant
good
conductivity,
making
it
ideal
solar
cells.
Under
optimal
conditions,
FTO/WS2/Mg3AsBr3/Au
structure
demonstrated
PCE
31.70%,
with
VOC
1.08
V,
JSC
36.03
mA/cm2,
fill
(FF)
81.64%.
These
computational
findings
suggest
Mg3AsBr3-based
promising
candidates
developing
highly
efficient,
lead-free,
durable,
cost-effective
cells,
offering
valuable
insights
practical
application
in
renewable
energy
technologies.
ACS Omega,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 27, 2025
Although
perovskite-structured
materials
have
primarily
been
widely
employed
in
solar
cell
applications,
limited
studies
conducted
the
field
of
electrorheology
(ER).
In
this
study,
various
halide
perovskite
materials,
including
FAPbBr3,
FAPbI3,
MAPbBr3,
MAPbI3,
CsPbBr3,
and
CsPbI3
were
synthesized
for
first
time
to
evaluate
their
applicability
ER
time.
Initially,
morphological
chemical
properties
these
characterized
confirm
successful
formation
structures.
addition,
as-synthesized
dispersed
silicone
oil
(3.0
wt
%)
suitability
as
dispersants
fluids.
Among
these,
CsPbI3-based
fluid
exhibited
optimal
dielectric
greatest
dispersion
stability
systems
examined.
demonstrated
highest
performance,
achieving
a
shear
stress
99.4
Pa,
owing
synergistic
effects
its
intrinsic
rod-like
structure
properties,
which
promoted
polarization.
The
aspect
ratios
rods
further
controlled
by
modifying
synthetic
process,
resulting
generation
both
shorter
longer
rods.
Notably,
fluids
based
on
via
hydrothermal
method
yielded
structures
with
high
ratio
20,
leading
an
enhanced
activity
128.0
Pa.
These
results
highlight
potential
use
applications.
