Inorganic Chemistry,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Nov. 19, 2024
Lithium
metal
anodes
generally
suffer
from
uncontrolled
dendrite
growth
and
large
volume
change,
while
traditional
skeletons
such
as
Li13In3
Li22Sn5
are
too
heavy
discontinuous
to
offer
highly
efficient
structural
supportability
for
composite
Li
anodes.
In
this
work,
lightweight
stable
fiber-clustered
skeletons,
which
composed
of
LiB
fibers
jointed
Li22Si5
nanoparticles,
can
be
obtained
by
smelting
SiB6
powder
ingots.
addition
serving
both
ionic
electronic
conductors
anodes,
the
reduced
volumetric
fluctuation
offering
uniform,
heterogeneous,
continuous
architectures
suppressing
lithium
dendrites
with
low
nucleation
overpotential
diffusion
energy
barrier.
As
a
result,
Li–SiB6|Li–SiB6
symmetrical
cells
achieve
an
ultralong
lifespan
over
2000
h
cycling
at
1
mA
cm–2
cm–2.
Eventually,
Li–SiB6|LiFePO4
full
exhibit
long-term
cyclability
400
cycles
high-capacity
retention
94.5%
2
C,
Li–SiB6|LiCoO2
pouch
impressive
85%
capacity
after
350
cycles.
This
work
develops
new
strategy
strengthen
stability
fibrous
minimize
changes
dendrite-free
Angewandte Chemie International Edition,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Oct. 11, 2024
Abstract
Developing
rechargeable
batteries
that
operate
within
a
wide
temperature
range
and
possess
high
safety
has
become
necessary
with
increasing
demands.
Rapid
accurate
assessment
of
the
melting
points
(MPs),
boiling
(BPs),
flash
(FPs)
electrolyte
molecules
is
essential
for
expediting
battery
development.
Herein,
we
introduce
Knowledge‐based
Property
prediction
Integration
(KPI),
knowledge–data
dual‐driven
framework
molecular
property
electrolytes.
Initially,
KPI
collects
structures
properties,
then
automatically
organizes
them
into
structured
datasets.
Subsequently,
interpretable
machine
learning
further
explores
structure–property
relationships
from
microscopic
perspective.
Finally,
by
embedding
discovered
knowledge
models,
achieved
very
low
mean
absolute
errors
10.4,
4.6,
4.8
K
MP,
BP,
FP
predictions,
respectively.
The
reached
state‐of‐the‐art
results
in
18
out
20
Utilizing
neighbor
search
high‐throughput
screening,
15
14
promising
molecules,
without
Chemical
Abstracts
Service
Registry
Number,
respectively,
were
predicted
wide‐temperature‐range
high‐safety
batteries.
not
only
accurately
predicts
properties
deepens
understanding
but
also
serves
as
an
efficient
integrating
artificial
intelligence
domain
knowledge.
Angewandte Chemie,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Oct. 11, 2024
Abstract
Developing
rechargeable
batteries
that
operate
within
a
wide
temperature
range
and
possess
high
safety
has
become
necessary
with
increasing
demands.
Rapid
accurate
assessment
of
the
melting
points
(MPs),
boiling
(BPs),
flash
(FPs)
electrolyte
molecules
is
essential
for
expediting
battery
development.
Herein,
we
introduce
Knowledge‐based
Property
prediction
Integration
(KPI),
knowledge–data
dual‐driven
framework
molecular
property
electrolytes.
Initially,
KPI
collects
structures
properties,
then
automatically
organizes
them
into
structured
datasets.
Subsequently,
interpretable
machine
learning
further
explores
structure–property
relationships
from
microscopic
perspective.
Finally,
by
embedding
discovered
knowledge
models,
achieved
very
low
mean
absolute
errors
10.4,
4.6,
4.8
K
MP,
BP,
FP
predictions,
respectively.
The
reached
state‐of‐the‐art
results
in
18
out
20
Utilizing
neighbor
search
high‐throughput
screening,
15
14
promising
molecules,
without
Chemical
Abstracts
Service
Registry
Number,
respectively,
were
predicted
wide‐temperature‐range
high‐safety
batteries.
not
only
accurately
predicts
properties
deepens
understanding
but
also
serves
as
an
efficient
integrating
artificial
intelligence
domain
knowledge.
The
lithium
deposition
and
SEI
formation,
which
are
crucial
factors
limiting
the
use
of
metal
anodes
with
high
specific
energy,
both
closely
related
to
ion-solvent
coordination
(ISC)
structure
ions.
Nevertheless,
there
is
a
paucity
knowledge
at
molecular
level
concerning
link
between
stability
Li
anode
ISC
structure.
Here,
influence
carbonate-based
electrolytes
different
salt
mole
ratio
(MR)
on
was
investigated
through
dynamics
(MD)
simulations,
density
functional
theory
(DFT)
calculations
electrochemical
experiments.
mechanism
effect
constructed
level.
A
significant
correlation
found
electrostatic
potential
(ESP)
solvation
desolvation
energy
(Ed)
low
MR.
Consequently,
ESP
can
be
employed
as
descriptor
for
experimental
screening
solvents.
It
also
identified
that
Ed
reduced
increasing
MR,
thereby
optimizing
deposition.
This
study
offers
insights
into
pivotal
function
in
formation
provides
an
effective
approach
optimize
fabrication
stable
lithium-metal
batteries.
Advanced Functional Materials,
Journal Year:
2025,
Volume and Issue:
unknown
Published: May 30, 2025
Abstract
Lithium‐ion
batteries
(LIBs)
are
awarded
the
2019
Nobel
Prize
in
Chemistry,
revolutionizing
global
energy
systems
and
significantly
altering
human
lifestyles.
However,
current
electrochemical
performance
of
lithium‐ion
fails
to
satisfy
increasingly
stringent
requirements
for
fast‐charging
capabilities
modern
storage
applications.
Central
this
challenge
is
advancement
graphite
anode
materials,
which
play
a
pivotal
role
enhancing
performance.
Nonetheless,
inherently
sluggish
lithiation
kinetics
LIBs
impose
limitations
on
battery
capacity,
leading
irreversible
lithium
plating,
has
adverse
impact
power
cycling
This
review
delves
into
elucidating
primary
factors
influencing
anodes
dissects
underlying
failure
mechanisms.
And
then
comprehensive
overview
modification
strategies
aimed
at
ability
presented
from
view
reaction
process.
Moreover,
advanced
situ
characterization
techniques
applicable
key
issues
process
introduced.
Finally,
potential
future
directions
perspective
mechanism
researches
methods
highlighted,
aiming
drive
LIBs.
Advanced Functional Materials,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Nov. 26, 2024
Abstract
Achieving
wide‐temperature
operation
is
a
crucial
objective
for
the
practical
deployment
of
sodium‐ion
batteries
(SIBs).
However,
development
suitable
electrolytes
hindered
by
significant
challenges,
including
compromised
ionic
dynamics
at
low
temperatures
and
interphase
instability
high
temperatures.
Herein,
this
study
proposes
novel
enhancement
mechanism
utilizing
sulfur‐rich
strategy,
grounded
in
rational
solvent
selection.
This
approach
enriches
electrolyte
with
sulfur‐containing
species
that
exhibit
Na
+
affinity
efficient
migration
both
cathode
anode
sides.
Consequently,
strategy
significantly
enhances
interfacial
charge
transfer
integrity,
confirmed
theoretical
calculations
electrochemical
measurements.
The
designed
demonstrates
robust
performance
half‐cells
based
on
3
V
2
(PO
4
)
(NVP)
across
wide
temperature
range
from
−25
to
60
°C.
Furthermore,
full‐cell,
featuring
an
NVP
paired
hard
carbon
anode,
exhibits
exceptional
stability.
Specifically,
full
cell
achieves
reversible
capacities
56.1
mAh
g
−1
after
100
cycles
°C
74.9
°C,
impressive
capacity
retentions
87.7%
88.2%,
respectively.
Importantly,
introduces
advanced
optimization
enables
SIBs
temperatures,
providing
solutions
future
developments
field.