Angewandte Chemie International Edition,
Journal Year:
2023,
Volume and Issue:
62(11)
Published: Jan. 24, 2023
The
design
and
selection
of
a
suitable
guest
acceptor
are
particularly
important
for
improving
the
photovoltaic
performance
ternary
organic
solar
cells
(OSCs).
Herein,
we
designed
successfully
synthesized
two
asymmetric
silicon-oxygen
bridged
acceptors,
which
featured
distinct
blue-shifted
absorption,
upshifted
lowest
unoccupied
molecular
orbital
energy
levels,
larger
dipole
moments
than
symmetric
silicon-oxygen-bridged
acceptor.
Ternary
devices
with
incorporation
14.2
wt
%
these
acceptors
exhibited
excellent
power
conversion
efficiencies
(PCEs)
18.22
18.77
%,
respectively.
Our
success
in
precise
control
material
properties
via
structural
fusion
five-membered
carbon
linkages
six-membered
connection
at
central
electron-donating
core
unit
fused-ring
electron
can
attract
considerable
attention
bring
new
vigor
vitality
developing
materials
toward
more
efficient
OSCs.
Journal of Materials Chemistry A,
Journal Year:
2022,
Volume and Issue:
10(8), P. 4170 - 4180
Published: Jan. 1, 2022
A
multi-stage
machine
learning
and
molecular
dynamics
simulation-assisted
pipeline
is
introduced
for
the
time-
cost-efficient
design
screening
of
small
molecule
acceptors
organic
solar
cells.
Chemistry - A European Journal,
Journal Year:
2021,
Volume and Issue:
28(2)
Published: Nov. 12, 2021
Chemical
structure
of
small
molecule
acceptors
determines
their
performance
in
organic
solar
cells.
Multiscale
simulations
are
necessary
to
avoid
trial-and-error
based
design,
ultimately
save
time
and
resources.
In
current
study,
the
effect
sp2
-hybridized
nitrogen
substitution
at
inner
or
outmost
position
central
core,
side
chain,
terminal
group
is
investigated
using
multiscale
computational
modelling.
Quantum
chemical
analysis
used
study
electronic
behavior.
Nitrogen
end-capping
has
significantly
decreased
electron-reorganization
energy.
No
big
change
observed
transfer
integral
excited
state
However,
good
way
improve
electron-mobility.
Power
conversion
efficiency
(PCE)
newly
designed
predicted
machine
learning.
Molecular
dynamics
also
performed
explore
acceptor
blends
with
PBDB-T
polymer
donor.
Florgy-Huggins
parameter
calculated
mixing
PBDB-T.
Radial
distribution
function
indicated
that
a
closer
packing
N3
N4.
From
all
analysis,
it
found
better
strategy
design
efficient
acceptors.
Advanced Functional Materials,
Journal Year:
2022,
Volume and Issue:
32(28)
Published: May 4, 2022
Abstract
Self‐powered
broadband
photodetectors
exhibit
excellent
self‐powered
and
wide‐band
photoresponse
from
visible
to
infrared
region
attract
enormous
attention
due
their
promising
applications
in
imaging,
sensing,
optical
communication.
PbSe
colloidal
quantum
dots
(CQDs)
halide
perovskites
nanocrystals
(NCs)
are
commonly
used
for
strong
absorption
capability,
tunable
bandgap,
high
aspect
ratio.
However,
suffering
low
charge
carrier
mobility
trap
density,
the
performance
of
individual
CQDs
perovskites‐based
is
not
satisfactory.
Integration
with
inorganic
mixed‐halide
perovskite
nanomaterials
can
provide
an
opportunity
overcome
these
drawbacks.
In
this
work,
a
hybrid
nanocomposite
blended
all‐inorganic
mixed
NCs
integrated
fabricate
bulk‐heterojunction‐based
high‐performance
photodetectors.
The
transportation
photogenerated
carriers
enhanced
by
employing
electrons‐
holes‐extracting
layers.
As
result,
photoresponsivity
6.16
A
W
−1
specific
detectivity
5.96
×
10
13
Jones
ON/OFF
current
ratio
5
obtained
bulk‐heterojunction
photodetector
ITO/ZnO/PbSe:CsPbBr
1.5
I
/P3HT/Au
mode.
Meanwhile,
device
fabricated
numerically
simulated
using
Technology
Computer‐Aided
Design
software,
physical
mechanisms
carriers’
discussed
detail.
Advanced Functional Materials,
Journal Year:
2022,
Volume and Issue:
32(26)
Published: March 23, 2022
Abstract
Integrating
desirable
light
absorption,
energy
levels,
and
morphology
in
one
matrix
is
always
the
aspiration
to
construct
high‐performance
organic
solar
cells
(OSCs).
Herein,
an
asymmetric
acceptor
Y6‐1O
incorporated
into
binary
blends
of
Y7‐BO
donor
PM6
prepare
ternary
OSCs.
Two
isogenous
asymmetric–symmetric
acceptors
with
similar
chemical
skeletons
tend
form
alloy‐like
state
due
their
good
compatibility,
which
contributes
optimizing
for
efficient
charge
generation
extraction.
The
complementary
absorption
two
helps
improve
photon
harvesting
blends,
higher
lowest
unoccupied
molecular
orbital
(LUMO)
level
offers
chance
uplift
mixed
LUMO
levels
acceptors.
Combining
aforesaid
benefits,
OSCs
10
wt%
produce
a
top‐ranked
power
conversion
efficiency
(PCE)
18.11%
simultaneously
elevated
short‐circuit
current
density,
open‐circuit
voltage,
fill
factor
comparison
Y7‐BO‐based
devices.
Furthermore,
optimized
≈300
nm
active
layers
obtain
champion
PCE
16.61%,
highest
value
thick‐film
devices
reported
so
far.
This
work
puts
forward
avenue
further
boosting
performance
but
different
structures.
Polymer Chemistry,
Journal Year:
2022,
Volume and Issue:
13(42), P. 5993 - 6001
Published: Jan. 1, 2022
Multi-dimensional
modelling
was
used
to
study
the
effect
of
chalcogen
atoms
on
non-covalent
interactions,
structural
and
electronic
properties
polymer
materials.
Their
bulk
were
also
studied
at
molecular
level.
ACS Nano,
Journal Year:
2023,
Volume and Issue:
17(11), P. 9763 - 9792
Published: June 2, 2023
Zero-carbon
energy
and
negative
emission
technologies
are
crucial
for
achieving
a
carbon
neutral
future,
nanomaterials
have
played
critical
roles
in
advancing
such
technologies.
More
recently,
due
to
the
explosive
growth
data,
adoption
exploitation
of
artificial
intelligence
(AI)
as
part
materials
research
framework
had
tremendous
impact
on
development
nanomaterials.
AI
has
enabled
revolutionary
next-generation
paradigms
significantly
accelerate
all
stages
material
discovery
facilitate
exploration
enormous
design
space.
In
this
review,
we
summarize
recent
advancements
applications
discovery,
with
special
emphasis
selected
nanotechnology
net-zero
future
including
solar
cells,
hydrogen
energy,
battery
renewable
CO2
capture
conversion
capture,
utilization
storage
(CCUS)
addition,
discuss
limitations
challenges
current
area
by
identifying
gaps
that
exist
development.
Finally,
present
prospect
directions
order
large-scale
ACS Applied Materials & Interfaces,
Journal Year:
2023,
Volume and Issue:
15(21), P. 25671 - 25683
Published: May 19, 2023
Heterojunctions
based
on
low
dimensional
semiconducting
materials
are
one
of
the
most
promising
alternatives
for
next-generation
optoelectronic
devices.
By
choosing
different
dopants
in
high-quality
nanomaterials,
p-n
junctions
can
be
realized
with
tailored
energy
band
alignments.
Also,
bulk-heterojunctions
(BHJs)
photodetectors
have
shown
high
detectivity
because
suppressed
dark
current
and
photocurrent,
which
due
to
larger
built-in
electric
potential
within
depletion
region
significantly
improve
quantum
efficiency
by
reducing
carriers'
recombination.
In
this
work,
PbSe
dots
(QDs)
blended
ZnO
nanocrystals
(NCs)
were
used
as
n-type
layer,
while
CsPbBr3
NCs
doped
P3HT
p-type
layer;
a
result,
BHJ
was
formed
strong
field.
Consequently,
such
kind
photodetector
ITO/ZnO/PbSe:ZnO/CsPbBr3:P3HT/P3HT/Au
showed
ON/OFF
ratio
105
photoresponsivity
1.4
A/W
specific
6.59
×
1014
Jones
under
0.1
mW/cm2
532
nm
illumination
self-driven
mode.
Moreover,
simulation
performed
TCAD
also
agrees
well
our
experimental
results,
underlying
physical
mechanism
enhanced
performance
is
discussed
detail
type
photodetector.
