Angewandte Chemie International Edition,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Nov. 11, 2024
Abstract
Metal–organic
frameworks
(MOFs)
are
lagging
in
the
use
of
lithium‐ion
batteries
(LIBs),
ascribing
to
full
coordination
between
metal
nodes
and
organic
ligands,
a
large
extent.
By
integrating
modulator
into
ligand
with
missing
bridging
functionality,
this
study
elucidates
role
non‐bridging
defect
sites
MOFs
tailoring
lithium
storage
performance.
A
fully
bridged
pristine
MOF
(p‐MOF)
utilizing
meso‐tetra(4‐carboxylphenyl)
porphyrin
is
compared
modified
containing
defects
(d‐MOF)
introduced
by
homologous
ligand,
tris(4‐carboxyphenyl)
porphyrin.
Spectroscopic
cryogenic
low‐dose
electron
microscopy
techniques
verify
presence
d‐MOF
reveal
their
explicit
local
structure.
Density
functional
theory
calculations
show
significantly
enhanced
Li
+
adsorption
energies
reduced
migration
barriers
at
p‐MOF.
As
result,
exhibits
exceptional
performance,
achieving
high
capacity
761
mAh
g
−1
0.05
superior
rate
performance
203
5
,
which
substantially
outperform
This
highlights
potential
modulating
develop
high‐performance
LIBs.
Journal of Materials Chemistry A,
Journal Year:
2024,
Volume and Issue:
12(28), P. 17369 - 17381
Published: Jan. 1, 2024
This
study
showcases
a
supercapacitor
device
with
oxygen–nitrogen
dual
functionalized
and
sulfurized
iron–nickel
hydroxysulfide,
demonstrating
high
performance
stability
for
energy
storage.
Journal of Power Sources,
Journal Year:
2024,
Volume and Issue:
614, P. 235000 - 235000
Published: July 5, 2024
Recently,
a
lateral
heterostructure
(LHS)
combining
black
phosphorene
and
graphene
edges
was
developed,
addressing
volume
change
issues
enhancing
capacity
retention.
However,
unresolved
geometric
concerns
require
further
investigation,
particularly
regarding
its
suitability
as
sodium-ion
battery
(SIB)
anode.
We
present
three
LHSs
models,
labeled
(LHS
PC)1,
PC)2,
P5C6,
all
featuring
edge
contact
symmetry
(armchair
direction)
but
with
different
interface
defects.
Through
first-principles
calculations,
we
compare
their
structural
stability,
electronic
properties,
charge
transfer
mechanisms.
P5C6
exhibits
superior
energetic
stability
dynamic
type
II
band
alignment
0.73
eV
direct
gap,
indicating
optimal
diffusion.
Electrochemical
assessments
reveal
low
sodium
migration
barrier
(0.019
eV),
facilitating
rapid
charge-discharge
rates,
storage
of
590.5
mAh/g
intercalation
at
average
voltage
(0.27
V).
Additionally,
ab
initio
molecular
dynamics
(AIMD)
confirm
thermal
during
storage,
underscoring
P5C6's
potential
promising
SIB
anode
material.
