Phase Behavior of Conjugated Polymer Solutions and Blends: The Flory–Huggins Lattice Model
The Journal of Physical Chemistry C,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Feb. 11, 2025
Language: Английский
Impact of the Torsion Angle in Y6-Backbone Acceptors on the Open-Circuit Voltage in Organic Solar Cells
The Journal of Physical Chemistry Letters,
Journal Year:
2025,
Volume and Issue:
unknown, P. 3157 - 3164
Published: March 20, 2025
In
organic
solar
cells
(OSCs),
optimizing
the
molecular
geometry
is
crucial
for
improving
device
efficiency
by
reducing
recombination
rates
and
maximizing
charge
transfer
(CT)
state
energy.
Understanding
structure–property
relationship
regarding
geometry,
electronic
structure,
open-circuit
voltage
(Voc)
essential.
By
employing
dynamics
simulations
density
functional
theory
calculations,
we
explored
how
intramolecular
torsion
angles
(θ)
between
conjugated
moieties
impact
Voc.
Small
θ
promotes
orbital
energy
degeneracy,
CT
(ECT)
its
energetic
disorder
(σCT).
While
a
low
ECT
can
increase
non-radiative
losses
(ΔEnr),
small
σCT
decreases
ΔEnr.
Balancing
these
effects
essential
to
maximize
value
of
–
ΔEnr
high
L8-BO
exhibits
large
θ,
resulting
in
1.17
eV
PM6/L8-BO
compared
1.04
PM6/Y6,
while
latter
has
0.17
lower
Consequently,
achieved
Voc
0.87
V,
surpassing
0.81
V
PM6/Y6.
These
findings
were
consistent
with
experimental
0.89
0.84
This
study
demonstrates
role
dihedral
on
OSC
material
design,
as
they
significantly
influence
conjugation
effect
distribution.
Language: Английский
An n‐Doped Organic Cross‐Linked Electron Transport Layer with High Electrical Conductivity for High‐Efficiency Tandem Organic Photovoltaics
Advanced Materials,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 24, 2025
Abstract
With
merits
of
good
solution
processability,
intrinsic
flexibility,
etc,
organic/organic
interconnecting
layers
(ICLs)
are
highly
desirable
for
tandem
organic
photovoltaics
(OPVs).
Herein,
an
n‐doped
cross‐linked
electron
transport
layer
(ETL),
named
c‐NDI‐Br:PEI
is
developed,
via
a
simple
in
situ
quaternization
reaction
between
bromopentyl‐substituted
naphthalene
diimide
derivative
(NDI‐Br)
and
polyethylenimine
(PEI).
Due
to
strong
self‐doping,
films
exhibit
high
electrical
conductivity
(0.06
S
cm
−1
),
which
important
efficient
hole
reombination
ICL
OPVs.
In
addition,
the
ETLs
show
work
function
modulation
ability,
solvent‐resistance.
The
above
features
enable
as
ETL
not
only
single‐junction
OPVs,
but
also
devices
without
any
metal
ICL.
Under
solar
radiation,
device
with
achieves
power
conversion
efficiency
(PCE)
18.18%,
surpassing
ZnO‐based
(17.09%).
homo‐
hetero‐tandem
m‐PEDOT:PSS:c‐NDI‐Br:PEI
remarkable
PCEs
19.06%
20.06%,
respectively.
808
nm
laser
radiation
photon
flux
57
mW
−2
,
homo‐tandem
presents
superior
PCE
38.5%.
This
study
provides
new
constructing
all‐solution‐processed
ICL,
can
be
integrated
flexible
wearable
devices.
Language: Английский