Advanced Science,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 9, 2025
Abstract
Metal
halide
perovskites
have
garnered
widespread
attention
for
research
and
applications,
thanks
to
their
high
adaptability
in
elemental
composition
optoelectronic
properties.
The
mixed
Sn–Pb
perovskite
FASn
0.5
Pb
I
3
(FA
+
is
formamidinium)
features
a
narrow
bandgap
of
1.25
eV,
appropriate
building
tandem
solar
cells,
but
faces
challenges
fabricating
uniform,
compact
films
having
protected
surfaces
scalable
dimensions.
Herein,
Lewis‐base
molecule
trimethylthiourea
(3T)
applied
as
ligand
the
system,
find
that
it
favors
binding
Sn
2+
over
.
As
result,
tin
lead
components
crystallize
congruently
at
unit
cell
scale.
3T
helps
crystal
grains
develop
into
regular
shapes
micron
sizes,
so
fill
film
thickness
closely
contact
substrate.
Also,
slow
evaporation
during
annealing
inhibits
surface
defects
renders
centimeter‐wide
smoothness.
Solar
cells
made
such
has
achieved
power
conversion
efficiency
21.5%
factor
81%.
Eliminating
methylammonium
hole
transport
layer
(HTL)
from
these
substantially
boosts
short‐term
storage
stabilities.
These
results
will
contribute
making
streamlined,
durable,
large‐area
cells.
Semiconductor Science and Technology,
Год журнала:
2025,
Номер
40(3), С. 035004 - 035004
Опубликована: Янв. 14, 2025
Abstract
This
study
aims
at
exploring
the
potential
of
inorganic
wide-bandgap
mixed-halide
aluminum-containing
perovskites
Cs
3
AlI
x
Br
6−
for
solar
harvesting,
by
investigating
their
structural,
electronic
and
optical
properties
through
density
functional
theory
using
augmented
plane
wave
plus
local
orbital
method.
The
structural
were
calculated
with
PBE-GGA
potential.
Volume
optimization
negative
formation
energies
confirm
thermal
stability
compounds.
Tran–Blaha
modified
Becke–Johnson
(TB-mBJ)
TB-mBJ
corrected
band
gaps
revealed
that
these
materials
belong
to
(WBG)
perovskite
family,
displaying
in
range
3–5
eV.
direct
bandgap
nature,
I-p
Br-p
states
mainly
contributing
valence
Al-s,
Al-p
Cs-d
conduction
band.
Absorption
coefficients
from
10
to140
×
4
per
cm
UV
region,
thus
making
WBG
suitable
applications
this
region.
Optical
show
absorption
light
beyond
eV
validate
gaps.
coefficients,
conductivity
dielectric
function
(real
imaginary)
a
peak
shift
higher
lower
increasing
I
concentration.
above
results
suggest
can
be
highly
considered
use
photovoltaics,
optoelectronic
devices
(light-emitting
diodes,
photodiodes),
power
small
batteries
Internet
Things,
agrivoltaics
fabrication
semi-transparent
cells.
Abstract
Interfacial
modification
using
self‐assembled
monolayers
(SAMs)
is
crucial
for
defect
passivation
and
energy
level
alignment
in
perovskite
solar
cells
(PSCs),
yet
scaling
SAMs
remains
a
challenge.
Organic
are
often
too
thin
large‐area
homogeneous
layers
through
spin‐coating
their
hydrophobic
nature
complicates
solution‐based
fabrication,
hindering
uniform
film
formation.
This
study
introduces
SAM
based
on
phenothiazine
core
that
involves
synergistic
co‐adsorption
of
hydrophilic
phosphonic
acid
with
unit
use
as
hole
transport
layer
p‐i‐n
PSCs.
The
PTZ‐PA
improves
formation,
alignment,
extraction,
achieving
power
conversion
efficiency
above
23.2%.
It
also
maintains
stable
performance
over
500
h
under
continuous
illumination,
indicating
its
potential
durable
increases
surface
energy,
overcoming
non‐wetting
issues
enabling
the
formation
high‐quality
films
improved
morphology
crystallinity.
group
coordinates
lead
iodide
perovskite,
enhancing
electronic
charge
transfer
mechanical
absorption,
which
facilitates
effective
p‐type
charge‐selective
contacts.
Advanced Science,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 9, 2025
Abstract
Metal
halide
perovskites
have
garnered
widespread
attention
for
research
and
applications,
thanks
to
their
high
adaptability
in
elemental
composition
optoelectronic
properties.
The
mixed
Sn–Pb
perovskite
FASn
0.5
Pb
I
3
(FA
+
is
formamidinium)
features
a
narrow
bandgap
of
1.25
eV,
appropriate
building
tandem
solar
cells,
but
faces
challenges
fabricating
uniform,
compact
films
having
protected
surfaces
scalable
dimensions.
Herein,
Lewis‐base
molecule
trimethylthiourea
(3T)
applied
as
ligand
the
system,
find
that
it
favors
binding
Sn
2+
over
.
As
result,
tin
lead
components
crystallize
congruently
at
unit
cell
scale.
3T
helps
crystal
grains
develop
into
regular
shapes
micron
sizes,
so
fill
film
thickness
closely
contact
substrate.
Also,
slow
evaporation
during
annealing
inhibits
surface
defects
renders
centimeter‐wide
smoothness.
Solar
cells
made
such
has
achieved
power
conversion
efficiency
21.5%
factor
81%.
Eliminating
methylammonium
hole
transport
layer
(HTL)
from
these
substantially
boosts
short‐term
storage
stabilities.
These
results
will
contribute
making
streamlined,
durable,
large‐area
cells.
