ACS Applied Energy Materials,
Год журнала:
2022,
Номер
5(7), С. 9020 - 9030
Опубликована: Июль 11, 2022
The
small-molecule-based
donor/acceptor
blend
is
an
important
component
in
bulk-heterojunction
organic
solar
cells
(OSCs).
Although
a
variety
of
small-molecule
donors
have
been
developed
recent
years,
only
few
them
reached
efficiencies
over
15%
using
fullerene-free
acceptors
OSCs.
Therefore,
it
to
develop
high-performing
molecular
donor
materials
with
ideal
orbital
energy
levels,
complementary
absorption
the
acceptors,
and
good
charge-transporting
character.
Herein,
design
development
two
wide
band
gap
functional
coumarin-based
C1-CN
C2-CN
are
presented,
which
synthesized
efficiently
readily
accessible
starting
materials,
criterion
for
realization
cost-effective
large
area
associated
effect
excellent
optoelectronic
thermal
properties
frontier
levels
enabled
application
solution-processed
Ternary
OSCs
fabricated
C1-CN:DBTBT-IC:Y6
displayed
up
15.28%,
one
highest
values
reported
all-small-molecule
low
loss
0.43
eV.
The
choice
of
molecular
material
plays
a
crucial
role
in
improving
the
performance
organic
solar
cells.
Herein,
two
coumarin‐based
small
molecules
are
designed
and
synthesized
which
π‐system
is
extended
by
introduction
double
bonds.
differed
attachment
central
acceptor
units.
replacement
carbonyl
group
C3
dicyanomethylene
unit
C3–CN
red‐shift
absorption,
reduced
energy
gap,
stabilized
highest
occupied
orbital
lowest
unoccupied
levels.
When
blended
with
complementary
absorbing
all‐fused
F13,
binary
devices
using
donor
delivered
power
conversion
efficiency
(PCE)
11.09%.
In
contrast,
C3–CN:F13‐based
device
displayed
an
impressive
PCE
14.84%
due
to
obvious
increase
all
open
circuit
voltage,
short
current
density,
fill
factor
values.
inclusion
CN
backbone
induces
tighter
intermolecular
packing,
beneficial
for
charge
transport
properties.
study
demonstrates
that
subtle
modification
conjugation
length
tuning
level
proper
could
be
promising
way
improve
device's
performance.
Materials Chemistry Frontiers,
Год журнала:
2024,
Номер
8(15), С. 2657 - 2665
Опубликована: Янв. 1, 2024
By
incorporating
an
acceptor
Y-TNF
with
a
structure
analogous
to
Y6
as
the
third
component,
nanofiber
of
active
layer
is
further
optimized,
molecular
arrangement
more
ordered,
and
PCE
device
reaches
18.1%.
The Journal of Chemical Physics,
Год журнала:
2022,
Номер
156(17)
Опубликована: Апрель 15, 2022
Materials
optimization
for
organic
solar
cells
(OSCs)
is
a
highly
active
field,
with
many
approaches
using
empirical
experimental
synthesis,
computational
brute
force
to
screen
subset
of
chemical
space,
or
generative
machine
learning
methods
that
often
require
significant
training
sets.
While
these
may
find
high-performing
materials,
they
can
be
inefficient
and
time-consuming.
Genetic
algorithms
(GAs)
are
an
alternative
approach,
allowing
the
"virtual
synthesis"
molecules
prediction
their
"fitness"
some
property,
new
candidates
suggested
based
on
good
characteristics
previously
generated
molecules.
In
this
work,
GA
used
discover
unfused
non-fullerene
acceptors
(NFAs)
power
conversion
efficiency
(PCE)
provides
design
rules
future
work.
The
electron-withdrawing/donating
strength,
as
well
sequence
symmetry,
those
units
examined.
utilization
over
brute-force
approach
resulted
in
speedups
up
1.8
×
1012.
New
types
units,
not
frequently
seen
OSCs,
suggested,
total
5426
NFAs
discovered
GA.
Of
these,
1087
predicted
have
PCE
greater
than
18%,
which
roughly
current
record
efficiency.
symmetry
showed
no
correlation
PCE,
analysis
arrangement
revealed
higher
performance
achieved
donor
core
acceptor
end
groups.
Future
NFA
designs
should
consider
strategy
A-D-A'-D-A
architecture.
ACS Applied Energy Materials,
Год журнала:
2022,
Номер
5(7), С. 9020 - 9030
Опубликована: Июль 11, 2022
The
small-molecule-based
donor/acceptor
blend
is
an
important
component
in
bulk-heterojunction
organic
solar
cells
(OSCs).
Although
a
variety
of
small-molecule
donors
have
been
developed
recent
years,
only
few
them
reached
efficiencies
over
15%
using
fullerene-free
acceptors
OSCs.
Therefore,
it
to
develop
high-performing
molecular
donor
materials
with
ideal
orbital
energy
levels,
complementary
absorption
the
acceptors,
and
good
charge-transporting
character.
Herein,
design
development
two
wide
band
gap
functional
coumarin-based
C1-CN
C2-CN
are
presented,
which
synthesized
efficiently
readily
accessible
starting
materials,
criterion
for
realization
cost-effective
large
area
associated
effect
excellent
optoelectronic
thermal
properties
frontier
levels
enabled
application
solution-processed
Ternary
OSCs
fabricated
C1-CN:DBTBT-IC:Y6
displayed
up
15.28%,
one
highest
values
reported
all-small-molecule
low
loss
0.43
eV.