Comprehensive Understanding of the Structural Modulation Principles for Highly Efficient Photoelectrochemical/Photocatalytic Processes via X‐Ray Absorption Spectroscopy
ChemCatChem,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 5, 2025
Abstract
Photoelectrochemical
(PEC)
and
photocatalytic
(PC)
reactions
offer
promising
pathways
toward
the
efficient
conversion
of
intermittent
solar
energy
into
high
value‐added
chemicals.
To
improve
efficiency
energy,
rational
modulation
both
light
absorbers
surface
sites
is
required
for
sunlight‐harvesting
capacity
reaction
activity,
yet
depending
on
a
comprehensive
understanding
process.
In
this
regard,
X‐ray
absorption
spectroscopy
(XAS)
plays
critical
role
in
probing
electronic
geometric
structures
active
materials
PEC
PC
reactions,
thereby
revealing
related
structure‒activity
relationships
providing
guide
further
structural
modulation.
This
review
begins
with
principles
PEC/PC
reactions.
The
fundamental
knowledge
XAS
then
introduced,
including
basics
near
edge
structure
(XANES)
extended
fine
(EXAFS),
general
experimental
methods,
situ
technique.
Furthermore,
we
provide
several
examples
to
illustrate
how
can
be
utilized
reveal
(e.g.,
water
splitting,
CO
2
reduction,
N
fixation).
Finally,
major
challenges
future
opportunities
exciting
field
are
highlighted.
Language: Английский
Non-adiabatic Dynamical Simulations to the Radiative and Non-radiative Recombinations of the Non-fullerene Acceptor Excited State To Optimize Its Photoluminescence Quantum Yield
The Journal of Physical Chemistry Letters,
Journal Year:
2025,
Volume and Issue:
unknown, P. 3359 - 3365
Published: March 25, 2025
Optimizing
the
photoluminescence
quantum
yield
(PLQY)
of
non-fullerene
acceptor
(NFA)
molecules
is
critical
for
reducing
non-radiative
recombination
energy
loss
in
NFA-based
organic
solar
cells.
In
this
letter,
by
developing
a
non-adiabatic
dynamical
method
combined
with
different
electron
population
rate
equations,
we
separately
simulate
radiative
and
process
NFA
molecular
excited
state,
thus
clarify
quantitative
correlations
typical
characteristics
their
PLQY,
including
analyses
corresponding
mechanisms
directed
against
conventional
"energy
gap
law".
The
main
findings
include:
weakening
intramolecular
electron-phonon
coupling
electronic
push-pull
potential
can
optimize
competition
between
recombinations,
improving
PLQY;
furthermore,
increasing
intermolecular
J-aggregation
ratio
should
be
an
effective
strategy
to
alleviate
aggregation-induced
reduction
PLQY.
These
provide
clear
directions
rational
design
morphology
optimization
toward
higher
Language: Английский
Reducing Non‐Radiative Energy Losses in Non‐fullerene Organic Solar Cells
ChemSusChem,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Nov. 1, 2024
Abstract
With
the
rapid
advancement
of
non‐fullerene
acceptors
(NFAs),
power
conversion
efficiency
(PCE)
organic
solar
cells
(OSCs)
has
surpassed
20
%
threshold,
highlighting
their
considerable
potential
as
next‐generation
energy
devices.
In
comparison
to
inorganic
or
perovskite
cells,
open‐circuit
voltage
(
V
oc
)
OSCs
is
constrained
by
substantial
non‐radiative
losses
(Δ
E
nr
),
leading
values
notably
below
those
anticipated
Shockley‐Queisser
limit.
OSCs,
are
intimately
associated
with
electroluminescent
quantum
(EQE
EL
charge
transfer
states,
which
in
turn
directly
affected
photoluminescence
yield
(PLQY)
acceptor
materials.
Consequently,
enhancing
PLQY
low‐bandgap
materials
emerged
a
pivotal
strategy
effectively
mitigate
Δ
.
This
review
article
delves
into
intrinsic
correlation
between
molecular
structure
and
from
vantage
point
material
design.
It
further
explores
methodologies
for
designing
exhibiting
high
PLQY,
ultimate
goal
realizing
that
combine
minimal
Language: Английский