Angewandte Chemie,
Год журнала:
2024,
Номер
unknown
Опубликована: Дек. 3, 2024
Abstract
Minimizing
energy
loss
is
crucial
for
breaking
through
the
efficiency
bottleneck
of
organic
solar
cells
(OSCs).
The
main
mechanism
can
be
attributed
to
non‐radiative
recombination
(Δ
E
nr
)
that
occurs
due
exciton–vibration
coupling.
To
tackle
this
challenge,
tuning
intramolecular
noncovalent
interactions
strategically
utilized
tailor
novel
fused
ring
electron
acceptors
(FREAs).
Upon
comprehensive
analysis
both
theoretical
and
experimental
results,
approach
effectively
enhance
molecular
rigidity,
suppress
structural
relaxation,
reduce
exciton
reorganization
energy,
weakens
coupling
strength.
Consequently,
binary
OSC
device
based
on
Y‐SeSe,
which
features
dual
strong
Se
⋅
O
interactions,
achieves
an
outstanding
power
conversion
(PCE)
19.49
%,
accompanied
by
extremely
small
Δ
0.184
eV,
much
lower
than
those
Y‐SS
Y‐SSe
devices
with
weaker
interactions.
These
achievements
not
only
set
record
selenium‐containing
OSCs,
but
also
mark
lowest
reported
value
among
high‐performance
devices.
Furthermore,
ternary
blend
showcases
a
remarkable
PCE
20.51
one
highest
PCEs
single‐junction
OSCs.
This
work
demonstrates
effectiveness
in
suppressing
coupling,
thereby
achieving
low‐energy‐loss
high‐efficiency
Advanced Materials,
Год журнала:
2024,
Номер
36(33)
Опубликована: Июнь 20, 2024
Morphology
control
is
crucial
in
achieving
high-performance
organic
solar
cells
(OSCs)
and
remains
a
major
challenge
the
field
of
OSC.
Solid
additive
an
effective
strategy
to
fine-tune
morphology,
however,
mechanism
underlying
isomeric
solid
additives
on
blend
morphology
OSC
performance
still
vague
urgently
requires
further
investigation.
Herein,
two
based
pyridazine
or
pyrimidine
as
core
units,
M1
M2,
are
designed
synthesized
explore
working
OSCs.
The
smaller
steric
hindrance
larger
dipole
moment
facilitate
better
π-π
stacking
aggregation
M1-based
active
layer.
M1-treated
all-small-molecule
OSCs
(ASM
OSCs)
obtain
impressive
efficiency
17.57%,
ranking
among
highest
values
for
binary
ASM
OSCs,
with
16.70%
M2-treated
counterparts.
Moreover,
it
imperative
investigate
whether
isomerization
engineering
works
state-of-the-art
polymer
D18-Cl:PM6:L8-BO-based
devices
achieve
exceptional
19.70%
(certified
19.34%),
work
provides
deep
insights
into
design
clarifies
potential
optimizing
device
through
additives.
Polymers,
Год журнала:
2025,
Номер
17(1), С. 115 - 115
Опубликована: Янв. 5, 2025
This
paper
explores
a
novel
group
of
D-π-A
configurations
that
has
been
specifically
created
for
organic
solar
cell
applications.
In
these
material
compounds,
the
phenothiazine,
furan,
and
two
derivatives
thienyl-fused
IC
act
as
donor,
π-conjugated
spacer,
end-group
acceptors,
respectively.
We
assess
impact
substituents
by
introducing
bromine
atoms
at
potential
substitution
sites
on
each
acceptor
(EG1
EG2).
With
donor
π-bridge
held
constant,
we
have
employed
density
functional
theory
time-dependent
DFT
simulations
to
explore
photophysical
optoelectronic
properties
tailored
compounds
(M1–M6).
demonstrated
how
structural
modifications
influence
materials
cells.
Moreover,
all
proposed
exhibit
greater
Voc
exceeding
1.5
V,
suitable
HOMO-LUMO
energy
gap
(2.14–2.30
eV),
higher
dipole
moments
(9.23–10.90
D).
Various
decisive
key
factors
are
crucial
exploring
compounds—frontier
molecular
orbitals,
transition
matrix,
electrostatic
potential,
open-circuit
voltage,
maximum
absorption,
reduced
gradient,
charge
transfer
length
(Dindex)—were
also
explored.
Our
analysis
delivers
profound
insights
into
design
principles
optimizing
performance
applications
based
halogenated
compounds.
Angewandte Chemie International Edition,
Год журнала:
2024,
Номер
unknown
Опубликована: Дек. 3, 2024
Minimizing
energy
loss
is
crucial
for
breaking
through
the
efficiency
bottleneck
of
organic
solar
cells
(OSCs).
The
main
mechanism
can
be
attributed
to
non-radiative
recombination
(ΔEnr)
that
occurs
due
exciton-vibration
coupling.
To
tackle
this
challenge,
tuning
intramolecular
noncovalent
interactions
strategically
utilized
tailor
novel
fused
ring
electron
acceptors
(FREAs).
Upon
comprehensive
analysis
both
theoretical
and
experimental
results,
approach
effectively
enhance
molecular
rigidity,
suppress
structural
relaxation,
reduce
exciton
reorganization
energy,
weakens
coupling
strength.
Consequently,
binary
OSC
device
based
on
Y-SeSe,
which
features
dual
strong
Se
⋅
O
interactions,
achieves
an
outstanding
power
conversion
(PCE)
19.49
%,
accompanied
by
extremely
small
ΔEnr
0.184
eV,
much
lower
than
those
Y-SS
Y-SSe
devices
with
weaker
interactions.
These
achievements
not
only
set
record
selenium-containing
OSCs,
but
also
mark
lowest
reported
value
among
high-performance
devices.
Furthermore,
ternary
blend
showcases
a
remarkable
PCE
20.51
one
highest
PCEs
single-junction
OSCs.
This
work
demonstrates
effectiveness
in
suppressing
coupling,
thereby
achieving
low-energy-loss
high-efficiency
In
this
study,
we
have
successfully
incorporated
a
small
molecular
acceptor,
Y-LC,
with
conjugated
π-extension
as
secondary
acceptor
in
the
PM6:BTP-eC9-based
organic
photovoltaics.
The
performance
of
device
was
significantly
promoted
from
18.45%
binary
system
PM6:BTP-eC9
to
over
19%
ternary
minimal
Y-LC
loading.
This
enhancement
can
be
attributed
alloy-like
structures
acceptors
and
optimized
active
layer
morphology,
which
leads
improved
hole
electron
mobilities,
thereby
suppressing
charge
recombination,
finally
resulting
higher
photocurrent
solar
cells.
Furthermore,
complementary
absorption
is
observed
PM6
BTP-eC9,
broaden
spectrum
photoactive
enable
more
photons
sunlight
absorbed.
Additionally,
facilitates
efficient
transfer
donor
by
forming
cascade
energy
levels
between
BTP-eC9.
These
advantages
collectively
contribute
superior
obtained
work
also
highlights
that
adoption
nonfullerene
suitable
π-extensions
minor
additive
photovoltaics
powerful
approach
for
achieving
state-of-the-art
Advanced Science,
Год журнала:
2024,
Номер
unknown
Опубликована: Дек. 4, 2024
Abstract
Carbazole‐based
self‐assembled
monolayer
(SAM)
materials
as
hole
transport
layers
(HTL)
have
led
organic
solar
cells
(OSCs)
to
state‐of‐the‐art
photovoltaic
performance.
Nonetheless,
the
impact
of
alkyl
spacer
length
SAMs
remains
inadequately
understood.
To
improve
knowledge,
four
dichloride‐substituted
carbazole‐based
(from
2Cl‐2PACz
2Cl‐5PACz)
with
lengths
2–5
carbon
atoms
is
developed.
Single
crystal
analyses
reveal
that
shorter
spacers
exhibit
stronger
intermolecular
interactions
and
denser
packing.
The
molecular
conformation
significantly
impacts
their
footprint
coverage
on
ITO.
These
factors
result
in
highest
lowest
for
2Cl‐3PACz
OSCs
based
PM6:L8‐BO
HTL
achieved
high
efficiencies
18.95%
18.62%
without
methanol
rinsing
ITO/SAMs
anodes,
corresponding
multilayer
structures,
respectively.
In
contrast,
utilizing
other
showed
decreased
increased.
superior
performance
can
be
attributed
its
spacer,
which
reduces
series
resistance,
tunneling
distance,
barrier.
This
work
provides
valuable
insights
into
design
high‐performance
OSCs.
