DFT-driven design of efficient dual-atom electrocatalysts for lithium-sulfur batteries: Fe dimers supported on phthalocyanine
Shaobo Jia,
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Chou Wu,
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Haiyan Zhu
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et al.
Journal of Colloid and Interface Science,
Journal Year:
2025,
Volume and Issue:
688, P. 736 - 746
Published: Feb. 22, 2025
Language: Английский
High-Entropy-Induced Strong Dipole Moment for Accelerating Sulfur Reduction Kinetics Lithium-Sulfur Batteries across a Wide Range of Temperatures
Chi Zhang,
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Xinyue Wang,
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Qi Jin
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et al.
Energy storage materials,
Journal Year:
2025,
Volume and Issue:
unknown, P. 104147 - 104147
Published: Feb. 1, 2025
Language: Английский
Oriented Assembly of 2D Metal‐Pyridylporphyrinic Framework to Regulate the Redox Kinetics in Li−S Batteries
Yan Zhao,
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Zhongxia Shang,
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Muti Feng
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et al.
Advanced Materials,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 18, 2025
Abstract
Developing
the
highly
efficient
catalysts
is
a
great
challenge
for
accelerating
redox
reactions
in
Li−S
batteries.
Inspired
by
single‐atom
and
metalloproteins,
it
makes
full
use
of
advantages
metal–organic
frameworks
(MOFs)
as
electrocatalysts.
Herein,
series
2D
metal‐bonded
metalloporphyrin
MOFs
are
prepared
with
5,10,15,20‐tetrakis(4‐pyridyl)
cobalt
porphyrin
(CoTPyP)
building
blocks
transition
metals
(M═Mn,
Fe,
Co,
Ni,
Cu)
nodes,
respectively.
The
crystalline
structures
bimetallic
confirmed
UV–vis
spectra
X‐ray
diffraction
analyses.
According
to
DFT
calculation,
peripheral
metal
nodes
optimize
electronic
state
Co
core.
Especially,
CoTPyP‐Mn
facilitates
cleavage
S−S
bond
from
both
ends
promotes
their
conversion
kinetics
through
Co−S
Li−N
bonds.
cells
show
initial
specific
capacity
1339
mA
h
g
−1
at
0.2
C.
decay
rate
only
0.0442%
per
cycle
after
1000
cycles
2
This
work
achieves
rational
control
central
d
electron
regulation
enriches
application
Language: Английский
A Bifunctional Fibrous Scaffold Implanted with Amorphous Co2P as both Cathodic and Anodic Stabilizer for High‐Performance Li─S Batteries
Gang Zhao,
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Tianran Yan,
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Lei Wang
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et al.
Advanced Science,
Journal Year:
2025,
Volume and Issue:
unknown
Published: April 1, 2025
The
shuttling
of
lithium
polysulfides
(LiPSs)
and
the
formation
dendrites
have
substantially
impeded
practical
application
lithium-sulfur
(Li─S)
batteries.
To
simultaneously
solve
these
issues,
a
porous
carbon
fibrous
scaffold
embedded
with
amorphous
Co2P
(A─Co2P)
is
designed
as
both
cathodic
anodic
stabilizer
to
construct
high-rate
long-life
Li─S
meticulously
self-supporting
membrane
an
integrated
network
structure
offers
superior
conductivity
copious
spaces
for
uniform
Li2S
precipitation
in
cathode
Li
deposition
anode.
Moreover,
incorporated
A─Co2P
provides
abundant
unsaturated
sites,
which
can
not
only
facilitate
exposure
active
sites
but
also
modulate
electronic
configuration
enhanced
LiPSs
adsorption
catalysis
capability.
Concurrently,
presence
lithiophilic
reinforces
stability
anode
suppressed
dendrites.
constructed
full
batteries
deliver
high
areal
capacity
6.6
mAh
cm-2
sulfur
loading
8.5
mg
low
decay
rate
0.047%
per
cycle
after
800
cycles.
This
work
simple
yet
effective
strategy
by
addressing
dendrite
growth.
Language: Английский
Coordination Anions Dimensionality-Engineered Dual-Atom Catalysts for Enhanced Fenton-Like Reactions: 3D Coordination Induced Spin-State Transition
ACS Nano,
Journal Year:
2025,
Volume and Issue:
unknown
Published: April 4, 2025
Dual-atom
catalysts
(DACs)
have
shown
significant
application
potential
in
Fenton-like
reactions.
However,
effectively
modulating
their
electronic
structure
and
fully
understanding
the
mechanisms
driving
high
catalytic
activity
remain
challenging.
Herein,
we
propose
a
coordination
anions
dimensionality
engineering
strategy
to
synthesize
biomass-derived
dual-atom
FeCo-N4O1C
catalysts,
which
Fe
Co
atoms
are
bridged
by
two-dimensional
planar
N
three-dimensional
(3D)
axial
O
atom.
Experimental
data
theoretical
calculations
reveal
that
3D
of
induces
spin
state
undergo
transition
from
low
an
intermediate
compared
with
single-atom
Fe-N4O1C,
resulting
moderate
adsorption
desorption
intermediates,
thus
reducing
energy
barriers
for
generating
more
singlet
oxygen
high-valent
cobalt-oxo
species
during
peroxymonosulfate
activation.
The
electron
transfer
neighboring
through
can
prevent
poisoning
active
species.
Benefiting
synergistic
effects
multiple
sites,
catalyst-dose
normalized
reaction
rate
constant
reaches
14.5
L
min-1
g-1
under
concentrations─an
improvement
1
∼
2
orders
magnitude
over
most
reported
catalysts.
practical
applicability
is
demonstrated
nearly
100%
pollutant
removal
7
days
continuous
operation
membrane
filtration
system.
This
study
provides
deep
insights
into
relationship
between
performance
spin-state
regulation
DACs,
introduces
promising
approach
large-scale
synthesis
low-cost,
highly
efficient
DACs
Language: Английский
Orbital hybridizations in single-atom catalysts for electrocatalysis
Science Bulletin,
Journal Year:
2025,
Volume and Issue:
unknown
Published: April 1, 2025
Language: Английский
Revisiting the Nanofluid Behavior of Polysulfides in Carbon‐Based Interlayers: Longitudinal Osmotic Diffusion and Transverse Radiation‐Distribution Induced by Mn‐Based Catalysts
Hangqi Yang,
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Zhaoyang Han,
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Tianci Ma
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et al.
Advanced Functional Materials,
Journal Year:
2025,
Volume and Issue:
unknown
Published: April 7, 2025
Abstract
Carbon‐based
interlayer
as
the
secondary
current
collector
is
a
typical
approach
for
suppressing
polysulfide
shuttle
effect
in
lithium‐sulfur
batteries
(LSBs).
The
effective
operating
lifespan
determined
by
balance
between
local
concentration
and
bearing
capacity
of
interlayers.
However,
microscopic
diffusion
polysulfides
within
interlayers
under
multiple
force
fields
remains
unclear,
particularly
catalyst
on
multi‐scale
behavior.
Herein,
first
identification
reported
with
coupling
longitudinal
osmotic
transverse
radioactive
through
revisiting
Mn‐based
catalysts
(Mn‐X,
X
=
N,
O,
or
P).
In
addition
to
electric
field
forces
during
charging
discharging,
free
sustain
tension,
leading
radiation
This
adaptive
adjustment
optimizes
distribution,
mitigating
risk
deactivation
caused
excessive
concentration.
extent
lateral
positively
correlated
physicochemical
adsorption
interlayer.
Specifically,
stronger
static
demonstrates
broader
range.
work
re‐evaluates
behavior
interlayers,
further
guiding
design
high
performance
collector.
Language: Английский