International Journal of Modern Physics B,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Feb. 26, 2024
With
the
help
of
SCAPS
simulation
program,
this
study
investigates
possible
buffer
layer
in
copper
zinc
tin
sulfide
(CZTS)/zinc
oxide
(ZnO)
thin-film
solar
cells.
The
(SnS[Formula:
see
text]
and
cadmium
(CdS)
are
taken
into
consideration.
Based
on
electronic
band
structure
analysis,
SnS
2
exhibits
a
more
favorable
alignment
conduction
than
CZTS,
which
minimizes
barrier
to
energy
transfer.
showed
enhanced
carrier
generation
because
its
higher
absorption
coefficient.
Quantum
efficiency
plots
highlighted
’s
superior
performance
400–800[Formula:
text]nm
range,
where
CZTS
strongly
absorbs.
[Formula:
cell
exhibited
larger
J–V
curve
area,
driven
by
short-circuit
current
density
([Formula:
text].)
24.27[Formula:
text]mA/cm
compared
23.69[Formula:
for
CdS,
achieving
an
impressive
15.71%
versus
15.35%
CdS.
Because
improved
alignment,
charge
quantum
efficiency,
is
proving
be
promising
high-efficiency
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.
Advanced Theory and Simulations,
Journal Year:
2025,
Volume and Issue:
unknown
Published: April 17, 2025
Abstract
In
this
study,
the
performance
optimization
of
Cs₂TeI₆‐based
solar
cells
by
examining
144
unique
combinations
12‐hole
transport
layers
(HTLs)
and
12‐electron
(ETLs),
as
well
effects
three
back
contacts
are
explored.
Additionally,
impact
temperature
on
device
is
thoroughly
investigated.
The
extensive
process
involves
use
SCAPS,
which
allows
for
fine‐tuning
key
parameters
such
acceptor
density,
donor
trap
thicknesses
absorber,
ETL,
HTL,
also
series
shunt
resistances
density
functional
theory
calculations
implemented
to
conduct
investigation
optical
properties
inorganic
perovskite
derivative
Cs₂TeI₆.
By
optimizing
these
parameters,
Cs₂TeI₆
WS₂
copper
barium
tin
sulfide
HTL
identified.
This
optimized
configuration
demonstrates
remarkable
performance,
achieving
a
power
conversion
efficiency
26.57%,
fill
factor
91.10%,
short‐circuit
current
(
J
SC
)
19.69
mA
cm
−
2
,
open‐circuit
voltage
V
oc
1.48
V.
study
combination
contact
with
distinguishes
work,
establishing
new
benchmarks
next‐generation
photovoltaic
research.
comparative
advantage
in
material
selection,
coupled
multi‐parameter
optimization,
establishes
pathways
high‐efficiency
cells.
Scientific Reports,
Journal Year:
2024,
Volume and Issue:
14(1)
Published: Dec. 3, 2024
Abstract
In
this
work,
CsPb.
625
Zn.
375
IBr
2
-based
perovskite
solar
cells
(PSCs)
are
numerically
simulated
and
optimized
under
ideal
lighting
conditions
using
the
SCAPS-1D
simulator.
We
investigate
how
various
hole
transport
layers
(HTL)
including
Zn
3
P
,
PTAA,
MoS
2,
MoO
3,
MEH-PPV,
GaAs,
CuAlO
Cu
Te,
ZnTe,
MoTe
CMTS,
CNTS,
CZTS,
CZTSe
electron
(ETL)
such
as
CdS,
SnS
ZnSe,
PC
60
BM
interact
with
devices’
functionality.
Following
HTL
material
optimization,
a
maximum
power
conversion
efficiency
(PCE)
of
16.59%
was
observed
for
FTO/SnS
/CsPb.
/MoS
/Au
structure,
proving
to
be
more
economical
option.
The
remainder
investigation
is
done
following
optimization.
study
performance
PSC
affected
by
varying
materials
ETL
improve
PCE
device,
we
finally
thickness,
charge
carrier
densities,
defect
densities
absorber,
ETL,
HTL.
end,
arrangement
produced
V
OC
0.583
V,
J
SC
43.95
mA/cm
an
FF
82.17%,
21.05%
FTO/ZnSe/CsPb.
structure.
also
examine
effects
temperature,
shunt
resistance,
series
generation
rate,
recombination
current-voltage
(JV)
curve,
quantum
(QE)
properties
learn
about
device.
At
300
K,
device
provides
highest
thermal
stability.
Our
research
shows
promise
PSCs
offers
insightful
information
further
development
improvement.
