Nano Select,
Journal Year:
2024,
Volume and Issue:
5(9)
Published: May 5, 2024
Abstract
The
primary
aim
of
this
work
is
to
investigate
the
use
iron
di‐silicide
(FeSi
2
)
as
a
photoactive
layer
in
order
achieve
superior
performance
solar
cell
architecture—ITO/TiO
/FeSi
/CuSCN/Ni.
optimum
thickness
absorber
was
found
be
1000
nm,
which
gave
optimal
properties
proposed
cell—a
short‐circuit
current
density
(
J
sc
51.41
mAm
−2
,
an
open‐circuit
voltage
V
oc
0.93
V,
fill
factor
(FF)
77.99%,
and
power
conversion
efficiency
(PCE)
37.17%.
introduction
ultrathin
interfacial
between
electron
transport
(ETL),
perovskite
interface,
hole
(HTL)
enhanced
electrical
output
cell.
increased
51.86
mAcm
rose
0.97
while
FF
PCE
82.86%
41.84%,
respectively.
Accordingly,
architecture
promising
can
introduced
into
manufacturing
workflow
for
commercial
applications.
Moreover,
because
its
exceptional
photon
absorption
capabilities,
FeSi
potentially
excellent
material
fabrication.
detailed
findings
study
have
therefore
indicated
that
high‐performance
‐based
achieved
future.
Energy & Fuels,
Journal Year:
2024,
Volume and Issue:
38(8), P. 7260 - 7278
Published: March 28, 2024
Highly
efficient,
stable
perovskite
solar
cells
(PSCs)
are
investigated
using
barium
(Ba)-based
homologous
series
compound
materials
such
as
Ba3MBr3
(M
=
As,
P,
Sb,
and
N)
absorbers
due
to
their
exceptional
light-absorbing
stability
qualities.
Despite
achieving
a
power
conversion
efficiency
(PCE)
of
approximately
25%
with
lead
(Pb)-based
perovskites,
significant
challenges
persist
absorbing
efficacy
environmental
instability.
Our
study
employs
first-principles
calculations
(Density
Functional
Theory;
DFT)
SCAPS-1D
simulation
unveil
the
electronic,
mechanical,
optical,
cell
characteristics
compounds.
These
compounds
exhibit
unique
geometric
structures,
suitable
band
charge
density
distributions,
partial
states
(PDOS),
direct
band-gaps
ranging
from
0.532
0.976
eV.
Investigation
into
photoconversion
in
structures
utilizing
SnS2
electron
transport
layers
(ETL)
reveals
peak
PCE
≈29.8%
Ba3PBr3-absorber
heterostructure,
VOC
0.720
V,
JSC
49.50
mA
cm–2,
FF
83.30%,
quantum
(QE)
≥
90%
range
300–1200
nm
AM1.5G
spectra.
The
combined
(DFT
SCAPS-1D)
studies
provide
detailed
insights
Ba-based
perovskites
necessary
resources
for
fabricating
high-efficiency,
inorganic
PSCs
advanced
photovoltaic
technology.
Materials Today Communications,
Journal Year:
2024,
Volume and Issue:
38, P. 108347 - 108347
Published: Feb. 15, 2024
Solar
cells
(SCs)
based
on
non-toxic,
lead-free
silver
bismuth
iodide
(SBI,
Ag3BiI6)
absorbers
have
recently
gained
tremendous
attention
compared
to
lead
halide
perovskites.
However,
the
actual
device
efficiency
still
does
not
exceed
6%.
Therefore,
finding
a
suitable
SBI
SC
architecture
with
proper
ETL
and
HTL
layers
is
crucial
attaining
maximum
performance.
In
this
research,
SCAPS-1D
simulation
used
design
SC,
consisting
of
an
SBI-absorber,
CeOx-ETL,
three
different
HTLs
(pristine
Cu2O,
Te
&
Se/Te
doped
Cu2O)
under
standard
illumination.
After
optimization
all
thickness
defect
densities,
Se/Te-Cu2O-HTL
showed
17.7%
higher
built-in
potential
(1.37
V)
than
other
devices
(16.5%,
1.31
V
for
Te-Cu2O
16%,
1.25
due
its
enhanced
hole
transfer
reduced
recombination
at
Ag3BiI6/HTL
interface.
Besides,
impact
radiative
recombinations,
parasitic
resistances,
capacitance,
Mott-Schottky,
Nyquist
plot
working
temperature
are
carefully
examined.
The
Voc
deficit
increases
by
increasing
operating
temperature,
visibly,
Se/Te-Cu2O
(0.49
shows
(0.39
Cu2O
(0.34
devices.
Overall,
our
findings
can
be
helpful
experimentalists
reach
high
in
near
future.
Scientific Reports,
Journal Year:
2025,
Volume and Issue:
15(1)
Published: Feb. 26, 2025
Abstract
In
this
theoretical
analysis,
the
pressure-dependent
structural,
electronic,
mechanical,
and
optoelectronic
properties
of
LiMCl
3
(M
=
Mg,
Be)
have
been
calculated
using
density
functional
theory
within
framework
GGA
PBE
hybrid
HSE06
functional.
At
ambient
pressure,
lattice
parameters
match
well
with
previously
reported
values,
validating
accuracy
study.
Geometry
optimization
reveals
that
under
increasing
hydrostatic
both
unit
cell
volume
decrease.
Additionally,
band
structure
exhibits
notable
phenomena
over
pressure
range
from
0
to
100
GPa.
For
LiMgCl
compound,
bandgap
decreases
an
indirect
4
eV
a
direct
2.563
eV.
Similarly,
LiBeCl
shows
2.388
0.096
The
optical
,
including
absorption
coefficient,
reflectivity,
refractive
index,
dielectric
function,
conductivity,
throughout
study
varying
conditions.
analysis
Be,
Mg)
enhance
thereby
rendering
these
materials
more
suitable
for
applications.
To
assess
stability
compounds,
elastic
constants
were
analyzed,
indicating
ductile
anisotropic
characteristics
different
These
investigated
are
use
in
devices
due
their
favorable
physical
circumstances.
Optics Continuum,
Journal Year:
2023,
Volume and Issue:
2(10), P. 2144 - 2144
Published: Sept. 11, 2023
Inorganic
perovskite
materials
have
recently
received
significant
consideration
in
the
sector
of
solar
technology
because
their
tremendous
structural,
optical,
and
electronic
strengths.
This
research
exhaustively
inquired
about
characteristics
inorganic
cubic
Sr
3
AsI
utilizing
first-principles
density-functional
theory
(FP-DFT).
The
Sr3AsI3
molecule
exhibits
a
direct
bandgap
1.265
eV
value
at
Γ
point.
According
to
band
characteristics,
this
component
has
strong
absorption
capability
region
visibility,
as
demonstrated
by
optical
parameters
including
dielectric
functions,
coefficient,
reflectivity,
electron
loss
function.
It
is
discovered
that
spikes
constant
are
visible
photon
energy
range
which
suitable
for
cells.
As
result,
considered
application
production
light
management
