Journal of the American Chemical Society,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Dec. 9, 2024
Carbonyl-containing
materials
employed
in
state-of-the-art
hybrid
lead
halide
perovskite
solar
cells
(PSCs)
exhibit
a
strong
structure-dependent
electron
donor
effect
that
predominates
defect
passivation.
However,
the
impact
of
molecular
spatial
conformation
on
efficacy
carbonyl-containing
passivators
remains
ambiguous,
hindering
advancement
design
for
passivating
materials.
Herein,
we
show
altering
torsion
angle
aromatic
ketones
from
twisted
to
planar
configurations,
as
seen
benzophenone
(BP,
27.2°),
anthrone
(AR,
15.3°),
and
9-fluorenone
(FO,
0°),
leads
notable
increment
cloud
density
around
carbonyl
group,
thus
improving
passivation
ability
lead-based
defects.
Consequently,
PSC
performance
also
relies
ketones,
with
coplanar
FO-based
achieving
highest
power
conversion
efficiency
(PCE)
25.13%
retaining
92%
its
initial
after
1000
h
operation
at
maximum
point
under
continuous
1-sun
illumination
(ISOS-L-1I).
Moreover,
mini-module
(14.0
cm
Advanced Functional Materials,
Journal Year:
2024,
Volume and Issue:
unknown
Published: March 29, 2024
Abstract
The
quality
of
the
buried
interface
plays
a
key
role
in
achieving
high‐performance
perovskite
solar
cells
(PSCs).
However,
it
is
challenging
to
guarantee
its
on
larger
area,
which
pivotal
for
commercialization
PSCs.
Here,
facile
strategy
developed
modify
SnO
2
/perovskite
by
incorporating
L‐Aspartic
acid
monosodium
salt
(ASP‐Na)
into
colloidal
dispersion.
ASP‐Na
with
multidentate
ligands
can
coordinate
Sn
form
stable
dispersion,
inhibiting
agglomeration
nanoparticles
at
interface.
In
addition,
coordination
between
and
turn
promotes
uniform
distribution
ASP‐Na,
facilitates
effective
passivation
defects.
Consequently,
treatment
improves
device
efficiency
from
23.44%
25.47%
(certified
25.02%)
an
aperture
area
0.0797
cm
without
hysteresis
enhances
operation
stability.
mini‐module
achieves
20.11%
18.30
,
demonstrating
potential
scalability.
Small,
Journal Year:
2025,
Volume and Issue:
21(9)
Published: Feb. 5, 2025
Perovskite
films
feature
unique
optoelectronic
properties,
rendering
them
promising
for
electronic
devices.
The
properties
depend
on
the
morphology
a
broad
range
of
length
scales
from
nanometers
to
millimeters,
influenced
by
variety
factors.
However,
controlling
is
challenging.
A
tailored
supramolecular
additive,
N,
N'-bis(2-aminoethyl)
terephthalamide
developed
control
intermediate
and
perovskite
crystallization
methyl
ammonium
lead
iodide
(MAPbI3)
enhance
thermal
moisture
stability
in
final
film.
Reversible
coordinative
interactions
carbonyl
groups
with
Pb2+
ions
via
Lewis
acid-base
adduct
subsequent
ion-ion
peripheral
grain
boundaries
are
combined
which
stabilized
strong
hydrogen
bonding
pattern
formed
between
amide
moieties
additive
molecules.
Adding
low
amounts
this
precursor
solution
significantly
decelerates
structure
formation
systematically
reduces
crystallite
size.
Slower
growth
phases
incorporation
boundary
observed
multiple
time-resolved
techniques.
Evidence
single-molecule
interlayers
MAPbI3
crystals
presence
directed
interaction
molecules
shown.
Transferability
approach
other
perovskites
anticipated,
paving
way
improved
processing
stability.
Energies,
Journal Year:
2024,
Volume and Issue:
17(21), P. 5282 - 5282
Published: Oct. 24, 2024
Perovskite
solar
cells
(PSCs)
suffer
from
a
quick
efficiency
drop
after
fabrication,
partly
due
to
surface
defects,
and
can
be
further
enhanced
with
the
passivation
of
defects.
Herein,
is
reviewed
as
method
improve
both
stability
PSCs,
an
emphasis
on
chemical
mechanism
passivation.
Various
molecules
are
utilized
passivants,
such
halides,
Lewis
acids
bases,
amines
(some
result
in
low-dimensional
perovskite),
polymers.
Multifunctional
promising
group
they
capable
passivating
multiple
defects
various
functional
groups.
This
review
categorizes
these
addition
considering
potential
limitations
each
type
passivant.
Additionally,
passivants
for
Sn-based
PSCs
discussed
since
this
has
poor
photovoltaic
performance
compared
their
lead-based
counterpart
severe
Lastly,
future
perspectives
usage
addressed
provide
direction
upcoming
research
practical
applications.
Advanced Functional Materials,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 10, 2025
Abstract
Perovskite
solar
cells
(PSCs)
have
emerged
as
a
promising
candidate
for
low‐cost
and
high‐efficiency
photovoltaic
solutions,
poised
to
rival
conventional
technologies.
Despite
their
potential,
the
path
commercialization
is
impeded
by
significant
defect
state
density
present
within
films.
In
this
work,
phthalocyanine
derivative,
tetra‐2‐(benzyloxy)ethoxy
substituted
Zn(II)
(BE‐ZnPc),
characterized
multiple
binding
sites,
introduced
into
perovskite
precursor
solution.
This
innovative
approach
designed
modulate
crystallization
process
of
passivate
defects
through
strategic
doping
mechanism.
The
BE‐ZnPc
molecule,
with
its
planar
macrocyclic
structure
electron‐donating
attributes,
engages
effectively
undercoordinated
Pb
2+
ions,
thereby
diminishing
enhancing
overall
film
quality.
resultant
PSCs,
optimized
BE‐ZnPc,
achieved
power
conversion
efficiencies
(PCE)
high
26%
(with
certified
PCE
26.05%),
marking
milestone
in
PSC
performance.
Moreover,
these
devices
maintain
an
impressive
92%
initial
following
550
h
operation
at
maximum
point.
study
delineates
novel
strategy
bolstering
both
efficiency
durability
PSCs
utilization
functional
phthalocyanines,
charting
new
course
advancement
technology.
Advanced Science,
Journal Year:
2025,
Volume and Issue:
unknown
Published: May 8, 2025
Abstract
Metal
halide
perovskite
semiconductors
are
highly
valued
for
their
outstanding
optoelectronic
properties.
However,
the
high
density
of
intrinsic
defect
states
in
polycrystalline
thin
films
on
surface
and
within
bulk
poses
a
significant
challenge
by
diminishing
carrier
mobility
lifetime,
thus
hindering
device
performance.
This
study
reveals
previously
unidentified
mid‐IR
emissive
trapping
state
MAPbI
3
that
differs
from
conventional
Shockley‐Read‐Hall
(SRH)
defects,
exhibiting
unique
surface‐localized
characteristics
detectable
through
transient
spectroscopy.
A
dual‐function
passivation
strategy
using
daminozide
(DA)
is
developed,
where
interlayer
selectively
passivates
mid‐IR‐active
defects
while
additive
mitigates
SRH
carbonyl‐Pb
2
⁺
coordination.
yields
remarkable
improvements
dynamics,
increasing
diffusion
constants
0.135
to
0.165
cm
s⁻¹
significantly
enhancing
performance,
including
open‐circuit
voltage
power
conversion
efficiency.
These
findings
highlight
crucial
importance
addressing
both
optimize
properties
perovskites.
Journal of Chemical Theory and Computation,
Journal Year:
2024,
Volume and Issue:
20(15), P. 6790 - 6800
Published: July 22, 2024
Directly
applying
big
language
models
for
material
and
molecular
design
is
not
straightforward,
particularly
real-scenario
cases,
where
experimental
validation
accuracy
required.
In
this
study,
we
propose
a
multimode
descriptor
method
materials
prediction
analysis,
leveraging
the
advantages
of
natural
processing
literature
model
density
functional
theory
(DFT)
calculations
with
assistance
genetic
algorithm
(GA).
A
case
study
on
aqueous
photocurrents
multisolvent
engineered
halide
perovskite
CH
Surface
engineering
is
one
of
the
important
strategies
to
enhance
power
conversion
efficiency
(PCE)
and
stability
perovskite
solar
cells
(PSCs).
Herein,
2-chloro-1,3-dimethylimidazolidinium
hexafluorophosphate
(CIP)
was
introduced
into
PSCs
passivate
defects
films.
There
are
many
F
atoms
in
CIP
molecules
that
have
strong
electronegativity
hydrophobicity.
groups
can
interact
with
Pb2+
defects,
inhibit
interface
recombination,
improve
interaction
between
ionic
liquid
film,
reduce
defect
density
perovskites,
thus
improving
devices.
Density
functional
theory
calculation
reveals
uncoordinated
perovskites
through
coordination,
films,
nonradiation
recombination.
The
ITO/SnO2/MAPbI3/CIP/carbon
devices
without
hole
transport
layers
possessed
highest
PCE
17.06%.
Moreover,
unencapsulated
device
remains
at
98.18%
initial
stored
30-40%
relative
humidity
for
850
h.
This
strategy
provides
an
effective
reference
enhancing
performance
PSCs.
