The Journal of Physical Chemistry Letters,
Journal Year:
2025,
Volume and Issue:
unknown, P. 802 - 810
Published: Jan. 15, 2025
Hybrid
organic-inorganic
halide
perovskites
(HOIPs)
have
garnered
a
significant
amount
of
attention
due
to
their
exceptional
photoelectric
conversion
efficiency.
However,
they
still
face
considerable
challenges
in
large-scale
applications,
primarily
instability.
One
key
factor
influencing
this
instability
is
the
lattice
softness
attributed
A-site
cations.
In
study,
we
investigated
effects
four
different
cations
(MA,
FA,
EA,
and
GA)
on
by
using
combination
ab
initio
molecular
dynamics
first-principles
calculations.
Our
results
demonstrate
that
an
increase
number
hydrogen
bonds
for
correlates
with
enhanced
atomic
fluctuations,
resulting
reduction
bulk
modulus
softness.
The
strength
bonding
cation
increases
rotational
energy
barrier
cation,
along
formation
kinetic
coupling
between
[PbI6]4-
octahedron.
Consequently,
lifetime
enhances
rigidity
perovskite
lattice.
Notably,
found
EA
cations,
which
exhibit
stronger
fewer
total
bonds,
can
limit
rotation
inhibit
rocking
motion
octahedron,
thereby
inherently
soft
lattice,
ultimately
enhancing
stability
material.
findings
elucidate
effect
perovskites,
providing
valuable
theoretical
insights
design
more
stable
HOIPs.
Incorporation
of
ferroelectric
materials
into
perovskite
solar
cells
(PSCs)
has
been
demonstrated
as
an
effective
approach
to
elevating
the
device
performance.
Dipole
polarization
material
can
be
tuned
by
external
bias,
facilitating
charge
transport
PSCs.
However,
fundamental
challenges
still
exist
utilize
effect
in
PSCs
because
bias
leads
ion
migration
perovskites,
deteriorating
performance
and
long-term
stability
devices.
In
this
study,
we
report
method
improve
spontaneous
polymer
incorporated
a
quasi-two-dimensional
(2D)
without
utilizing
bias.
The
solvent
engineering
strategy
effectively
enhances
phase
crystallinity
polymer,
improving
local
electric
field
consequently
enhancing
transport.
addition,
offers
formation
smooth
surface
well
favorable
crystal
orientation,
leading
reduced
defect
density
quasi-2D
films.
Attributed
dual
effects,
significant
improvement
power
conversion
efficiency
is
achieved
from
6.27
14.83%,
it
further
improved
16.65%
through
fine-tuning
functional
layers'
thickness.
We
believe
that
reported
avenue
for
designing
requirement
structural
modification
Small,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 19, 2025
Abstract
Interfaces
pose
significant
challenges
to
the
performance
and
stability
of
perovskite
solar
cells
(PSCs),
as
defects
weak
interactions
at
these
boundaries
can
lead
energy
losses
degradation.
To
address
issues,
it
is
crucial
functionalize
hole
transport
materials
(HTMs)
effectively
manage
interfacial
enhance
charge
transfer.
This
study
introduces
a
carbazole‐based
layer
(TC‐ICA)
that
leverages
halogen
bonding
(XB)
for
enhanced
interface
passivation
with
carboxylic
group
anchoring
indium‐doped
tin
oxide
(ITO).
By
combining
functionalities,
TC‐ICA
material
leads
exceptional
device
(99%
shelf
over
320
days
air
storage
T
80
‐lifetime
exceeding
1000
h
under
light
soaking)
efficiency
(15.4%),
outperforming
single‐function
like
TC‐CA
(14.7%)
TC‐I
(10.7%).
dual‐function
strategy
marks
advancement
in
quest
high‐performance
long‐term
stable
PSCs.
Advanced Energy and Sustainability Research,
Journal Year:
2025,
Volume and Issue:
unknown
Published: April 3, 2025
In
inverted
(p‐i‐n)
perovskite
solar
cells
(PSCs),
the
buried
interface
of
has
been
a
thorny
issue
due
to
difficulty
forming
good
interfacial
contact
between
hole‐transporting
layer
(HTL)
and
perovskite.
Here,
cross‐linkable
is
induced
in
p‐i‐n
PSCs
modify
The
copolymerized
with
pentaerythritol
tetrakis(3‐mercaptopropionate)
(PETMP)
triallyl
isocyanato
(TAIC)
form
cross‐linked‐PETMP‐TAIC.
After
thermal
treatment
at
100
°C,
vinyl
group
TAIC
can
react
thiol
PETMP
cross‐linked
network.
It
found
that
could
not
only
improve
energy
level
arrangement
HTL
perovskite,
thus
promoting
extraction
hole
but
also
significantly
enhance
crystalline
quality
inhibit
phase
transition
during
aging.
Devices
employing
this
exhibited
power
conversion
efficiency
22.20%,
maintaining
86%
its
initial
after
aging
85
°C
for
500
h.
