ACS Omega,
Год журнала:
2023,
Номер
8(46), С. 43792 - 43812
Опубликована: Ноя. 10, 2023
In
this
quantum
approach,
by
adding
bridge/π-spacer
fragments
between
the
donor
and
acceptor
parts
of
a
newly
constructed
DF-PCIC
(A-D-A
type)
molecule,
it
is
aim
to
improve
photovoltaic
characteristics
organic
solar
cells
(OSCs).
After
π-spacer
insertion
into
reference
molecule
(DF-R),
six
new
molecules
(DF-M1
DF-M6)
were
designed.
The
optoelectronic
attributes
inspected
theoretically
calculated
using
MPW1PW91/6-31G(d,p)
level
theory.
All
proposed
possessed
lower
band
gap
(Eg),
higher
value
absorption,
reorganization
energy,
greater
dipole
moment,
energies
excitations
than
DF-R
molecule.
frontier
molecular
orbital
study
proclaimed
that
DF-M1
has
lowest
1.62
eV
in
comparison
2.41
DF-R.
Absorption
properties
represented
DF-M2
show
highest
absorption
values
up
1006
1004
nm,
respectively,
near-infrared
region.
Regarding
λe
(0.0683896
eV)
λh
(0.1566471
eV).
DF-M5
manifested
moments
with
5.514665
7.143434
D,
respectively.
open
circuit
voltage
(VOC)
all
acceptors
was
J61,
complex.
DF-M4
DF-M6
showed
VOC
fill
factor
Based
on
given
results,
supposed
presented
might
prove
themselves
be
better
thus
great
interest
experimentalists.
Thus,
they
are
suggested
used
develop
proficient
OSC
devices
improved
prospects
near
future.
Energy & Environmental Science,
Год журнала:
2023,
Номер
16(8), С. 3543 - 3551
Опубликована: Янв. 1, 2023
Qx-
p
-4Cl
with
both
a
para
-fluorinated
central
unit
and
chlorinated
end
groups
exhibits
enhanced
molecular
packing,
facilitating
efficient
charge
transport,
thus
achieving
power
conversion
efficiency
(PCE)
of
18.78%
when
blended
donor
PM6.
Advanced Energy Materials,
Год журнала:
2023,
Номер
13(20)
Опубликована: Апрель 6, 2023
Abstract
Developing
efficient
and
stable
all‐polymer
solar
cells
(all‐PSCs)
has
received
increasing
attention
because
of
their
mechanical
robustness
for
flexible
devices.
Based
on
the
CH‐series
small
molecule
acceptors,
a
new
polymer
acceptor
(PZC24)
is
reported
obtains
decent
power
conversion
efficiency
(PCE)
16.82%
when
blended
with
PM6.
To
further
improve
performance,
an
oligomeric
(CH‐D1),
which
possesses
same
backbone
structure
as
PZC24,
proposed
synthesized
third
component
all‐PSC
system.
The
creative
strategy
improves
crystallinity
molecular
packing,
can
maintain
charge
transport
channels
all‐PSCs
binary
Therefore,
PM6:PZC24:CH‐D1
based
ternary
devices
exhibit
impressive
PCE
17.40%,
among
highest
value
all‐PSCs.
Compared
to
PM6:PZC24,
device
exhibits
enhanced
photosoaking
stability
thermal
stability,
simultaneously.
In
addition,
introduction
does
not
weaken
As
such,
display
excellent
15.35%.
Importantly,
this
shows
universality
in
PM6:PY‐IT
PM6:PY‐V‐γ
improved
PCEs
over
17%.
results
provide
feasible
simultaneously
photovoltaic
herald
bright
future
Advanced Functional Materials,
Год журнала:
2023,
Номер
33(31)
Опубликована: Апрель 17, 2023
Abstract
Peripheral
halogen
regulations
can
endow
non‐fullerene
acceptors
(NFAs)
with
enhanced
features
as
organic
semi‐conductors
and
further
boost
efficient
solar
cells
(OSCs).
Herein,
based
on
a
remarkable
molecular
platform
of
CH14
more
than
six
halogenation
positions,
preferred
NFA
CH23
is
constructed
by
synergetic
swapping
both
central
end
units,
rendering
the
overall
enlarged
dipole
moment,
packing
density
thus
relative
dielectric
constant.
Consequently,
CH23‐based
binary
OSC
reaches
an
excellent
efficiency
18.77%
due
to
its
improved
charge
transfer/transport
dynamics,
much
better
that
17.81%
for
control
CH14.
This
work
demonstrates
great
potential
achieving
state‐of‐the‐art
OSCs
delicately
regulating
formula
these
newly
explored
CH‐series
NFAs.
Angewandte Chemie International Edition,
Год журнала:
2023,
Номер
62(38)
Опубликована: Авг. 7, 2023
Abstract
To
exploit
the
potential
of
our
newly
developed
three‐dimensional
(3D)
dimerized
acceptors,
a
series
chlorinated
3D
acceptors
(namely
CH8‐3/4/5)
were
reported
by
precisely
tuning
position
chlorine
(Cl)
atom.
The
introduction
Cl
atom
in
central
unit
affects
molecular
conformation.
Whereas,
replacing
fluorinated
terminal
groups
(CH8‐3)
with
(CH8‐4
and
CH8‐5),
red‐shift
absorption
enhanced
crystallization
are
achieved.
Benefiting
from
these,
all
devices
received
promising
power
conversion
efficiencies
(PCEs)
over
16
%
as
well
decent
thermal/photo‐stabilities.
Among
them,
PM6:CH8‐4
based
device
yielded
best
PCE
17.58
%.
Besides,
merits
multi
alkyl
chains
enable
their
versatile
processability
during
preparation.
Impressive
PCEs
17.27
16.23
could
be
achieved
for
non‐halogen
solvent
processable
prepared
glovebox
ambient,
respectively.
2.88
cm
2
modules
also
obtained
13
via
spin‐coating
blade‐coating
methods,
These
results
among
performance
acceptors.
CH8‐4
on
small‐area
devices,
solvent‐processed
highlights
processing
capability
applications
future.
Advanced Materials,
Год журнала:
2023,
Номер
36(4)
Опубликована: Ноя. 23, 2023
Abstract
Giant
dimeric
acceptor
(G‐Dimer)
is
becoming
one
of
the
most
promising
organic
solar
cell
(OSC)
materials
because
its
definite
structure,
long‐term
stability,
and
high
efficiency.
Strengthening
hetero‐molecular
interactions
by
monomer
modification
greatly
influences
morphology
thus
device
performance,
but
lacks
investigation.
Herein,
two
novel
quinoxaline
core‐based
G‐Dimers,
Dimer‐QX
Dimer‐2CF,
are
synthesized.
By
comparing
trifluoromethyl‐substituted
Dimer‐2CF
non‐substituted
Dimer‐QX,
trifluoromethylation
effect
on
G‐Dimer
investigated
revealed.
The
trifluoromethyl
with
strong
electronegativity
increases
electrostatic
potential
reduces
surface
energy
G‐Dimer,
weakening
homo‐molecular
ordered
packing
reinforcing
interaction
donor.
suppresses
fast
assembly
during
film
formation,
facilitating
small
domains
molecular
in
blend,
which
a
trade‐off
conventional
control.
Together
favorable
vertical
phase
separation,
efficient
charge
generation,
reduced
bimolecular
recombination
concurrently
obtained.
Hence,
Dimer‐2CF‐based
OSCs
obtain
cutting‐edge
efficiency
19.02%
fill
factor
surpassing
80%,
an
averaged
extrapolated
T
80
≈12
000
h
under
continuous
°C
heating.
This
study
emphasizes
importance
strategy,
providing
facile
strategy
for
designing
highly
stable
OSC
materials.
Advanced Materials,
Год журнала:
2024,
Номер
36(23)
Опубликована: Фев. 19, 2024
Abstract
Achieving
desirable
charge‐transport
highway
is
of
vital
importance
for
high‐performance
organic
solar
cells
(OSCs).
Here,
it
shown
how
molecular
packing
arrangements
can
be
regulated
via
tuning
the
alkyl‐chain
topology,
thus
resulting
in
a
3D
network
stacking
and
highly
interconnected
pathway
electron
transport
simple‐structured
nonfused‐ring
acceptor
(NFREA)
with
branched
alkyl
side‐chains.
As
result,
record‐breaking
power
conversion
efficiency
17.38%
(certificated
16.59%)
achieved
NFREA‐based
devices,
providing
an
opportunity
constructing
low‐cost
high‐efficiency
OSCs.
Advanced Materials,
Год журнала:
2024,
Номер
36(33)
Опубликована: Июнь 19, 2024
In
the
recent
advances
of
organic
solar
cells
(OSCs),
quinoxaline
(Qx)-based
nonfullerene
acceptors
(QxNFAs)
have
attracted
lots
attention
and
enabled
recorded
power
conversion
efficiency
approaching
20%.
As
an
excellent
electron-withdrawing
unit,
Qx
possesses
advantages
many
modifiable
sites,
wide
absorption
range,
low
reorganization
energy,
so
on.
To
develop
promising
QxNFAs
to
further
enhance
photovoltaic
performance
OSCs,
it
is
necessary
systematically
summarize
reported
far.
this
review,
all
focused
are
classified
into
five
categories
as
following:
SM-Qx,
YQx,
fused-YQx,
giant-YQx,
polymer-Qx
according
molecular
skeletons.
The
design
concepts,
relationships
between
structure
optoelectronic
properties,
intrinsic
mechanisms
device
discussed
in
detail.
At
end,
kind
materials
summed
up,
direction
prospected,
challenges
faced
by
given,
constructive
solutions
existing
problems
advised.
Overall,
review
presents
unique
viewpoints
conquer
challenge
thus
boost
OSCs
development
toward
commercial
applications.
Angewandte Chemie International Edition,
Год журнала:
2024,
Номер
63(9)
Опубликована: Янв. 3, 2024
Abstract
Morphological
control
of
all‐polymer
blends
is
quintessential
yet
challenging
in
fabricating
high‐performance
organic
solar
cells.
Recently,
solid
additives
(SAs)
have
been
approved
to
be
capable
tuning
the
morphology
polymer:
small‐molecule
improving
performance
and
stability
devices.
Herein,
three
perhalogenated
thiophenes,
which
are
3,4‐dibromo‐2,5‐diiodothiophene
(SA‐T1),
2,5‐dibromo‐3,4‐diiodothiophene
(SA‐T2),
2,3‐dibromo‐4,5‐diiodothiophene
(SA‐T3),
were
adopted
as
SAs
optimize
cells
(APSCs).
For
blend
PM6
PY‐IT,
benefitting
from
intermolecular
interactions
between
thiophenes
polymers,
molecular
packing
properties
could
finely
regulated
after
introducing
these
SAs.
In
situ
UV/Vis
measurement
revealed
that
assist
morphological
character
evolution
blend,
leading
their
optimal
morphologies.
Compared
as‐cast
device
:
all
SA‐treated
binary
devices
displayed
enhanced
power
conversion
efficiencies
17.4–18.3
%
with
obviously
elevated
short‐circuit
current
densities
fill
factors.
To
our
knowledge,
PCE
18.3
for
SA‐T1‐treated
ranks
highest
among
APSCs
date.
Meanwhile,
universality
SA‐T1
other
demonstrated
unanimously
improved
performance.
This
work
provide
a
new
pathway
realizing
APSCs.
Abstract
The
use
of
deuterium
are
critical
for
promoting
the
fundamental
understanding
aggregate
materials
and
their
new
functions.
Particularly,
solution
structure
conjugated
polymers
can
be
hardly
resolved
without
deuteration.
However,
studies
about
isotopic
effects
casting
solvents
on
aggregated
structures
photovoltaic
bulk‐heterojunction
blends
deficient.
Here,
impact
deuterated
thermal
behavior,
structures,
device
performance
is
clearly
delineated
first
time
by
multiple
techniques.
enhanced
π‐π
stacking
order
highly
relevant
to
relatively
poor
miscibility
with
solvents.
Benefiting
from
higher
crystallinity
optimized
morphology
processed
films,
devices
able
achieve
better
efficiency
notable
improvement
in
stability.
Our
results
highlight
polymer
systems
reveal
potential
innovative
approaches
fabricate
thermally
stable
high‐efficiency
solar
cells.
Energy & Environmental Science,
Год журнала:
2023,
Номер
16(12), С. 5944 - 5955
Опубликована: Янв. 1, 2023
It
revealed
the
packing
arrangement
of
three
representative
chlorinated
NFAs,
showing
differences
from
linear
to
compact
3D
network
structures,
which
suggests
evolution
direction
NFA
materials
with
gradually
enhanced
device
performance.