ABSTRACT
Carbon
electrocatalyst
materials
based
on
lignocellulosic
biomass
with
multi‐components,
various
dimensions,
high
carbon
content,
and
hierarchical
morphology
structures
have
gained
great
popularity
in
electrocatalytic
applications
recently.
Due
to
the
catalytic
deficiency
of
neutral
atoms,
usage
single
lignocellulosic‐based
electrocatalysis
involving
energy
storage
conversion
presents
unsatisfactory
applicability.
However,
atomic‐level
modulation
lignocellulose‐based
can
optimize
electronic
structures,
charge
separation,
transfer
processes,
so
forth,
which
results
substantially
enhanced
performance
carbon‐based
catalysts.
This
paper
reviews
recent
advances
rational
design
as
electrocatalysts
from
an
perspective,
such
self/external
heteroatom
doping
metal
modification.
Then,
through
systematic
discussion
principles
reaction
mechanisms
catalysts,
prepared
catalysts
rechargeable
batteries
are
reviewed.
Finally,
challenges
improving
prospects
diverse
review
contributes
synthesis
strategy
via
modulation,
turn
promotes
lignocellulose
valorization
for
conversion.
Advanced Theory and Simulations,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 8, 2025
Abstract
This
work
provides
an
investigation
into
enhancing
the
performance
of
solar
cells
based
,
using
a
unique
combination
density
functional
theory
(DFT)
calculations
and
SCAPS‐1D
device
modeling.
Through
DFT,
we
determine
that
has
indirect
bandgap
1.84
eV,
closely
matching
experimental
value
1.80
eV.
The
material's
electronic
structure
is
largely
influenced
by
cobalt
chlorine
atoms,
while
nitrogen
hydrogen
contribute
to
lattice
stability.
Optical
analysis
reveals
initial
absorption
peak
at
5.11
along
with
effective
in
visible
spectrum
(1.6–3.2
eV).
To
ensure
SCAPS
simulations
produce
realistic
results,
benchmarked
against
reference
(FTO///Spiro‐OMeTAD/Au)
found
close
agreement
data.
With
confidence
SCAPS,
utilized
DFT‐derived
parameters
for
including
bandgap,
masses,
states,
mobilities,
permittivity,
as
inputs
further
simulation.
In
optimization
phase,
such
thicknesses
hole
electron
transport
layers,
defect
densities,
doping
concentrations,
temperature
effects
are
systematically
adjusted.
These
optimizations
result
notable
power
conversion
efficiency
(PCE)
19.71%
room
temperature.
Advanced Functional Materials,
Год журнала:
2025,
Номер
unknown
Опубликована: Апрель 16, 2025
Abstract
The
potential
applications
of
high‐power
sodium‐ion
batteries
are
numerous,
including
use
in
distributed
energy
storage
power
plants
and
electric
vehicles.
In
order
to
develop
anode
materials
with
fast
reaction
kinetics
high
reversibility,
the
deep
eutectic
supramolecular
polymers
electrode
is
pioneered.
LA‐DESP
situ
polymerized
on
Ti
3
C
2
T
x
MXene
surface,
resulting
that
exhibit
rapid
high‐capacity
retention.
polymer
network
constructs
channels
for
high‐speed
transport
ions
electrons,
also
provides
more
Na
+
pseudocapacitance
sites.
addition,
superior
mechanical
properties
help
protect
structure
from
damage
during
cycling,
ultrastable
storage.
hopping
migration
mechanism
through
polymer‐constructed
ion
proposed.
As
SIBs
half‐cells,
it
exhibits
remarkable
cycling
performance
114.4
mAh
g
−1
a
capacity
loss
only
5.1%
at
1000
mA
after
1500
cycles.
This
study
opens
new
way
rationally
design
promotes
application
electrodes.
Research Square (Research Square),
Год журнала:
2025,
Номер
unknown
Опубликована: Апрель 29, 2025
Abstract
To
optimise
the
production
of
energy
and
minimise
loss
concerning
availability
green
energy,
especially
solar
a
number
sun
light
absorber
prototypes
composed
various
materials
were
examined.
Tungsten
MXene
serve
as
components
in
Hexagonal
with
Square-shaped
Resonator
Metamaterial
MXene-based
Solar
Absorber
(HWSRMMSA),
resonator
hexagonal
square
form.
The
substrate
recommended
HWSRMMSA
was
SiO2,
contrast
to
bottom
layer
Fe.
Polarization
is
important
for
this
ultra-wideband
HWSRMMSA,
which
has
wide
bandwidth
2020
1140
nm
91%
96%
absorptance
at
200–4000
wavelength.
Permittivity
characteristics,
refractive
index,
permeability
among
negative
metamaterial
consequences
that
expanded
reliability
absorptance.
According
calculation,
maximum
possible
R2
value
0.999551
parameter
modification
ML
(machine
learning)
model,
using
liner
regression
aims
reduce
simulation
duration
by
quarter
within
comparison
previous
techniques
while
lowering
other
requirements.
Finally,
previously
described
used
observe
compare,
Electric
intensity
studied
described.
Because
its
outstanding
absorptance,
surface
plasmon
resonance
ultra-broadband,
been
utilized
water
heaters.
