Unraveling the Role of Electron‐Withdrawing Molecules for Highly Efficient and Stable Perovskite Photovoltaic
Angewandte Chemie International Edition,
Год журнала:
2024,
Номер
unknown
Опубликована: Сен. 7, 2024
Electron-withdrawing
molecules
(EWMs)
have
exhibited
remarkable
efficacy
in
boosting
the
performance
of
perovskite
solar
cells
(PSCs).
However,
underneath
mechanisms
governing
their
positive
attributes
remain
inadequately
understood.
Herein,
we
conducted
a
comprehensive
study
on
EWMs
by
comparing
2,2'-(2,5-cyclohexadiene-1,4-diylidene)
bismalononitrile
(TCNQ)
and
(2,3,5,6-tetrafluoro-2,5-cyclohexadiene-1,4-diylidene)
dimalononitrile
(F4TCNQ)
employed
at
perovskite/hole
transport
layer
(HTL)
interfaces.
Our
findings
reveal
that
simultaneously
enhance
chemical
passivation,
interface
dipole
effect,
chemically
binding
to
HTL.
Notably,
F4TCNQ,
with
its
superior
electron-withdrawing
properties,
demonstrates
more
pronounced
impact.
Consequently,
PCSs
modified
F4TCNQ
achieved
an
impressive
power
conversion
efficiency
(PCE)
25.21
%,
while
demonstrating
excellent
long-term
stability.
Moreover,
PCE
larger-area
module
(14.0
cm
Язык: Английский
Theoretical simulation and experimental research of fluorine-substituted carbazole-diphenylamine derivatives as hole transport materials for perovskite solar cells
Applied Surface Science,
Год журнала:
2024,
Номер
unknown, С. 161907 - 161907
Опубликована: Ноя. 1, 2024
Язык: Английский
Tailoring Diversified Peripheral Anchor Groups in Spirofluorene‐Dithiolane‐Based Hole Transporting Materials for Efficient Organic and Perovskite Solar Cells from First‐Principle
Advanced Theory and Simulations,
Год журнала:
2024,
Номер
unknown
Опубликована: Сен. 17, 2024
Abstract
This
quantum
mechanical
approach
recommends
push–pull
molecular
engineering
to
fabricate
hole‐transporting
materials
(HTMs)
for
photovoltaic
cells.
It
integrates
acceptor
moieties
via
thiophene
fluorene
core,
resulting
in
five
novel
HTMs
(SFD‐1
SFD‐5).
The
results
exhibit
that
derivative
show
excellent
coherence
excitation,
dispersion,
and
transportation
of
charge
carriers,
ensuring
robust
hole
mobility.
anchor
functionalized
unveil
band
alignment
with
perovskite
fitting
HOMO
energy
levels
(−4.93–−5.35
eV),
less
optical
absorption
visible
portion
(
<
520).
integration
has
improved
the
mobility
derivatives,
accredited
smaller
reorganization
(0.14–0.68
greater
transfer
integral
(0.22–0.33
eV).
transition
density
matrix
analysis
exhibited
electronic
coupling,
subtler
carrier
overlapping
length
(7.48–13.73
Å).
resulted
an
upsurge
intrinsic
transference
(70.75–92.70%)
exciton
binding
energy,
leading
easier
dissociation,
fewer
recombination
fatalities.
However,
adequate
variation
dipole
moment
(4.04
D
16.34
D)
Gibbs
solvation‐free
(−18.06
−21.89
kcal
mol
−1
)
ensures
facile
film
formation
processability.
In
conclusion,
this
these
flourene‐based
are
highly
desireable
forthcoming
solar
cell
technology.
Язык: Английский
Interface engineering by module customization of π-conjugated groups in hole transport materials for perovskite solar cells: theoretical simulation and experimental characterization
Dyes and Pigments,
Год журнала:
2024,
Номер
unknown, С. 112464 - 112464
Опубликована: Сен. 1, 2024
Язык: Английский
Unraveling the Role of Electron‐Withdrawing Molecules for Highly Efficient and Stable Perovskite Photovoltaic
Angewandte Chemie,
Год журнала:
2024,
Номер
unknown
Опубликована: Сен. 7, 2024
Abstract
Electron‐withdrawing
molecules
(EWMs)
have
exhibited
remarkable
efficacy
in
boosting
the
performance
of
perovskite
solar
cells
(PSCs).
However,
underneath
mechanisms
governing
their
positive
attributes
remain
inadequately
understood.
Herein,
we
conducted
a
comprehensive
study
on
EWMs
by
comparing
2,2′‐(2,5‐cyclohexadiene‐1,4‐diylidene)
bismalononitrile
(TCNQ)
and
(2,3,5,6‐tetrafluoro‐2,5‐cyclohexadiene‐1,4‐diylidene)
dimalononitrile
(F4TCNQ)
employed
at
perovskite/hole
transport
layer
(HTL)
interfaces.
Our
findings
reveal
that
simultaneously
enhance
chemical
passivation,
interface
dipole
effect,
chemically
binding
to
HTL.
Notably,
F4TCNQ,
with
its
superior
electron‐withdrawing
properties,
demonstrates
more
pronounced
impact.
Consequently,
PCSs
modified
F4TCNQ
achieved
an
impressive
power
conversion
efficiency
(PCE)
25.21
%,
while
demonstrating
excellent
long‐term
stability.
Moreover,
PCE
larger‐area
module
(14.0
cm
2
)
based
reached
21.41
%.
This
work
illuminates
multifaceted
interfaces
PSCs,
delivering
pivotal
insights
pave
way
for
sophisticated
design
strategic
application
EWMs,
thereby
propelling
advancement
photovoltaic
technology.
Язык: Английский
Dopant‐Free Hole Transport Material Based on Non‐Covalent Interaction for Efficient Perovskite Solar Cells
Small,
Год журнала:
2024,
Номер
unknown
Опубликована: Окт. 21, 2024
Abstract
Hole
transport
materials
(HTMs)
have
a
critical
impact
on
the
performance
of
perovskite
solar
cells
(PSCs).
Especially,
dopant‐free
HTMs
could
avoid
usage
hygroscopic
dopants
and
reduce
costs,
which
are
important
for
device
stability.
Most
current
organic
polycyclic
aromatic
hydrocarbons‐based
planar
conjugated
structures.
Yet,
synthesis
fused
heterocycles
is
often
complicated.
In
this
work,
intramolecular
non‐covalent
interaction
introduced
to
construct
two
(DCT
DTC),
can
be
facilely
obtained
through
simple
reactions.
Compared
DTC
with
hexyl
chain
central
benzene
ring,
DCT
hexyloxy
chains
shows
better
planarity
in
core
structure,
as
result
interactions
between
oxygen
sulfur
atom
adjacent
thiophene,
reflected
from
its
single
crystal
structure.
Moreover,
pristine
state
decent
hole
mobility
comparable
doped
Spiro‐OMeTAD.
Ultimately,
conventional
devices
using
HTM
show
high
efficiency
22.50%,
excellent
long‐term
stability,
light
thermal
The
results
that
noncovalent
useful
design
strategy
HTMs,
effectively
improve
stability
PSCs.
Язык: Английский