New Avenues for Organic Solar Cells Using Intrinsically Charge-Generating Materials
JACS Au,
Год журнала:
2024,
Номер
4(4), С. 1295 - 1302
Опубликована: Март 18, 2024
The
molecular
electron
acceptor
material
Y6
has
been
a
key
part
of
the
most
recent
surge
in
organic
solar
cell
sunlight-to-electricity
power
conversion
efficiency,
which
is
now
approaching
20%.
Numerous
studies
have
sought
to
understand
fundamental
photophysical
reasons
for
exceptional
performance
and
its
growing
family
structural
derivatives.
Though
significant
uncertainty
about
several
details
remains,
many
concluded
that
initially
photogenerated
excited
states
rapidly
convert
into
electron–hole
charge
pairs
neat
material.
These
are
characterized
by
location
hole
on
different
molecules,
contrast
Frenkel
excitons
dominate
behavior
semiconductor
materials.
Here,
we
summarize
current
state
knowledge
regarding
photophysics
observations
led
it.
We
then
link
this
understanding
other
advances,
such
as
role
quadrupolar
fields
donor–acceptor
blends,
importance
interactions
organization
providing
basis
Y6′s
properties.
Finally,
turn
our
attention
ways
making
use
new
Y6,
suggest
doping,
crystal
structure
tuning,
electric
field
engineering
promising
avenues
future
exploration.
Язык: Английский
Review on the DFT computation of bulk heterojunction and dye-sensitized organic solar cell properties
Journal of Molecular Modeling,
Год журнала:
2025,
Номер
31(3)
Опубликована: Фев. 13, 2025
Язык: Английский
Size Inhomogeneity Facilitates Exciton Dissociation in Carbon Dots
Nano Letters,
Год журнала:
2025,
Номер
25(6), С. 2554 - 2560
Опубликована: Янв. 31, 2025
Organic
carbon
dots
(CDs)
exhibit
tunable
electronic
structures
and
exceptional
optical
properties,
supporting
both
exciton-
charge-driven
applications.
However,
the
mechanisms
underlying
this
dual
functionality
are
poorly
understood.
This
study
establishes
role
of
size
inhomogeneity
in
exciton
dissociation
for
first
time.
Two
distinct
CD
types
were
identified,
each
class
with
a
deviation.
Intradot
relaxation
within
same
type
CDs
composes
fast
(∼1
ps)
slow
(∼tens
picoseconds)
component
among
size-deviated
subpopulations.
Interdot
transfer
between
two
occurs
time
scale
4.4
ps
but
is
evident
only
when
higher-energy
states
excited.
It
also
facilitates
dissociation,
generating
nearly
free
carriers,
confirmed
by
EPR
spectra
(g-value
=
2.005).
These
findings
highlight
critical
energy
level
alignment
selective
excitation
mediating
providing
key
insights
optimizing
light
emission
conversion
Язык: Английский
Towards high-throughput exciton diffusion rate prediction in molecular organic semiconductors
Journal of Materials Chemistry C,
Год журнала:
2024,
Номер
12(24), С. 8747 - 8758
Опубликована: Янв. 1, 2024
Accurate
property
prediction
is
paramount
to
high-throughput
screening
of
organic
photovoltaics.
Here,
the
accuracy
predicting
exciton
diffusion
computationally
examined,
and
several
simplifications
towards
are
explored.
Язык: Английский
How Rigid Are Anthranilamide Molecular Electrets?
The Journal of Physical Chemistry B,
Год журнала:
2024,
Номер
unknown
Опубликована: Ноя. 20, 2024
As
important
as
molecular
electrets
are
for
electronic
materials
and
devices,
conformational
fluctuations
strongly
impact
their
macrodipoles
intrinsic
properties.
Herein,
we
employ
dynamics
(MD)
simulations
with
the
polarizable
charge
equilibrium
(PQEq)
method
to
investigate
persistence
length
(LP)
of
composed
anthranilamide
(Aa)
residues.
The
PQEq-MD
dissipates
accepted
static
notions
about
Aa
macromolecules,
LP
represents
shortest
rigid
segments.
classical
model
a
single
value
does
not
describe
these
oligomers.
Introducing
multiple
values
same
macromolecule
follows
observed
trends
discerns
enhanced
rigidity
in
middle
sections
from
reduced
stiffness
at
terminal
regions.
Furthermore,
distinctly
depends
on
solvent
polarity.
oligomers
maintain
extended
conformations
nonpolar
solvents
exceeding
4
nm,
while
polar
media,
increased
reduce
2
nm.
These
characteristics
set
key
guidelines
utility
conjugates
charge-transfer
systems
within
organic
electronics
energy
engineering.
Язык: Английский
Time-resolved vibrational spectroscopic study of molecular nanoaggregate photocatalysts
Chemical Science,
Год журнала:
2024,
Номер
unknown
Опубликована: Янв. 1, 2024
The
controlled
aggregation
of
organic
chromophores
into
supramolecular
structures
offers
a
way
to
control
and
tune
photocatalytic
activity.
However,
the
underlying
mechanisms
charge
transfer
accumulation
are
still
unclear.
Time-resolved
vibrational
spectroscopy
is
powerful
structural
probe
for
studying
photogenerated
intermediates.
Here,
we
employ
time-resolved
infrared
(TRIR)
study
CNP
(2,6-bis(4-cyanophenyl)-4-(9-phenyl-9
Язык: Английский
Exciton Diffusion to Low Energy Sites of the Acceptor Drives Charge Photogeneration in D18:Y6 Solar Cells
The Journal of Physical Chemistry C,
Год журнала:
2024,
Номер
128(45), С. 19319 - 19328
Опубликована: Окт. 31, 2024
We
have
investigated
charge
generation
pathways
in
efficient
organic
photovoltaic
blends
of
the
polymer
donor
D18
and
small-molecule
acceptor
Y6
using
transient
absorption
time-resolved
fluorescence
spectroscopies.
find
that
energy
transfer
from
to
outcompetes
electron
is
followed
by
exciton
diffusion
regions
disordered
phase
aggregates
before
hole
D18.
Aggregation
molecules
increases
their
ionization
∼0.3
eV
provides
a
driving
force
for
excitons
spontaneously
generated
pairs
observed
ultrafast
depolarization
ground-state
bleaching
<200
fs,
which
indicates
delocalization
primary
aggregates.
This
can
explain
spontaneous
neat
films
Y6-rich
blends.
Our
results
show
subtle
aggregation
control
low-energy
absorber
be
used
balancing
photocurrent
with
low
voltage
loss
Язык: Английский