Recent Applications of Theoretical Calculations and Artificial Intelligence in Solid-State Electrolyte Research: A Review
Nanomaterials,
Год журнала:
2025,
Номер
15(3), С. 225 - 225
Опубликована: Янв. 30, 2025
Solid-state
electrolytes
(SSEs),
as
key
materials
for
all-solid-state
batteries
(ASSBs),
face
challenges
such
low
ionic
conductivity
and
poor
interfacial
stability.
With
the
rapid
advancement
of
computational
science
artificial
intelligence
(AI)
technologies,
theoretical
calculations
AI
methods
are
emerging
efficient
important
virtual
tools
predicting
screening
high-performance
SSEs.
To
further
promote
development
SSEs,
this
review
outlines
recent
applications
in
field.
First,
current
calculation
methods,
density
functional
theory
(DFT)
molecular
dynamics
(MD),
material
structure
optimization,
electronic
property
analysis,
transport
introduced,
along
with
an
analysis
their
limitations.
Second,
innovative
including
machine
learning
(ML)
deep
(DL),
properties,
analyzing
structural
features,
simulating
behaviors
elaborated.
Subsequently,
synergistic
application
strategies
combining
high-throughput
(HTS),
calculations,
highlighted,
demonstrating
unique
advantages
integrating
multiple
methodologies
discovery
performance
optimization.
Finally,
research
progress
is
summarized,
future
trends
forecasted.
The
integration
expected
to
significantly
accelerate
SSE
materials,
thereby
driving
industrial
ASSBs.
Язык: Английский
Fluorine and carbonate regulated nonflammable polymer electrolyte for ultrastable high-voltage Li metal batteries
Energy storage materials,
Год журнала:
2025,
Номер
unknown, С. 104129 - 104129
Опубликована: Фев. 1, 2025
Язык: Английский
Enhancing performance of lithium metal batteries through acoustic field application
Journal of Materials Chemistry A,
Год журнала:
2024,
Номер
unknown
Опубликована: Дек. 10, 2024
The
graphic
illustrates
how
an
external
acoustic
field
stabilizes
the
SEI
layer
by
enhancing
lithium-ion
mass
transfer
at
slip
lines
and
kinks,
reducing
pit
formation
promoting
a
more
uniform
SEI,
ultimately
improving
battery
performance.
Язык: Английский
Cost-Effective and High Ionic Conductivity Sulfide Solid Electrolyte Li7.3P2.9S10.75X0.3 (X = F, Cl, Br, and I) for All-Solid-State Lithium Batteries
ACS Applied Energy Materials,
Год журнала:
2024,
Номер
8(1), С. 473 - 482
Опубликована: Дек. 14, 2024
Sulfide
solid
electrolytes
(SSEs)
have
some
huge
advantages
in
high
room-temperature
conductivity,
good
thermal
stability,
low
interfacial
resistance,
etc.
They
are
one
of
the
ideal
for
developing
energy
density
and
safety
all-solid-state
lithium
batteries
(ASSLBs).
However,
preparation
SSEs
requires
expensive
Li2S
as
raw
material,
whose
cost
limits
its
practical
application.
Herein,
a
cost-effective
SSE
Li7.3P2.9S10.75X0.3
(X
=
F,
Cl,
Br,
I)
was
designed
prepared
by
using
low-cost
sulfur
instead
Li2S.
Significantly,
reduced
from
$169.72
to
$28.13
kg–1
based
on
replacing
strategy.
Moreover,
ionic
conductivity
1.86–2.73
mS
cm–1
at
room
temperature
voltage
window
5
V.
On
this
basis,
we
assembled
battery
TiS2/Li7.3P2.9S10.75I0.3/Li–In,
which
presented
initial
discharge
capacity
219
mA
h
g–1
satisfactory
cycle
stability
with
retention
86.7%
after
100
cycles
0.50
cm–2.
This
work
provides
an
effective
strategy
reducing
SSEs,
advancing
process
ASSLBs.
Язык: Английский