In
the
era
of
atomic
manufacturing,
precise
manipulation
structures
to
engineer
highly
active
catalytic
sites
has
become
a
central
focus
in
catalysis
research.
Dual-atom
catalysts
(DACs)
have
garnered
significant
attention
for
their
superior
activity,
selectivity,
and
stability
compared
single-atom
(SACs).
However,
comprehensive
review
that
integrates
geometric
electronic
factors
influencing
DAC
performance
remains
limited.
This
systematically
explores
structure
DAC,
addressing
key
macroscopic
parameters,
such
as
spatial
arrangements
interatomic
distances,
well
microscopic
factors,
including
local
coordination
environments
structures.
Additionally,
metal-support
interactions
(MSI)
long-range
(LSI)
are
comprehensively
analyzed,
which
play
pivotal
yet
underexplored
role
governing
behavior.
integration
tailored
functional
groups
is
further
discussed
fine-tune
properties,
thereby
optimizing
intermediate
adsorption,
enhancing
reaction
kinetics,
expanding
multifunctionality
various
electrochemical
environments.
offers
novel
insights
into
rational
design
by
elucidating
intricate
mechanisms
underlying
DACs'
exceptional
performance.
Ultimately,
DACs
positioned
critical
players
precision
catalysis,
highlighting
potential
drive
breakthroughs
across
broad
spectrum
applications.
Nature Communications,
Год журнала:
2025,
Номер
16(1)
Опубликована: Янв. 7, 2025
Owing
to
their
synergistic
interactions,
dual-atom
catalysts
(DACs)
with
well-defined
active
sites
are
attracting
increasing
attention.
However,
more
experimental
research
and
theoretical
investigations
needed
further
construct
explicit
understand
the
synergy
that
facilitates
multistep
catalytic
reactions.
Herein,
we
precisely
design
a
series
of
asymmetric
selenium-based
comprise
heteronuclear
SeN2–MN2
(M
=
Fe,
Mn,
Co,
Ni,
Cu,
Mo,
etc.)
for
efficient
oxygen
reduction
reaction
(ORR).
Spectroscopic
characterisation
calculations
revealed
selenium
atoms
can
efficiently
polarise
charge
distribution
other
metal
through
short-range
regulation.
In
addition,
compared
Se
or
Fe
single-atom
sites,
SeFe
facilitate
in
conversion
energy
barrier
from
*O
*OH
via
coadsorption
intermediates.
Among
these
designed
catalysts,
selenium-iron
achieves
superior
alkaline
ORR
performance,
half-wave
potential
0.926
V
vs.
reversible
hydrogen
electrode.
SeN2–FeN2-based
Zn–air
battery
has
high
specific
capacity
(764.8
mAh
g−1)
maximum
power
density
(287.2
mW
cm−2).
This
work
may
provide
good
perspective
designing
DACs
improve
efficiency.
Dual-atom
precise
gaining
attention,
but
studies
optimise
construction
synergy.
Here
authors
report
dual-
atom
reaction.
Advanced Functional Materials,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 2, 2025
Abstract
Atomically
dispersed
materials
have
been
a
thriving
research
field
due
to
their
maximum
atomic
utilization
and
remarkable
performance
in
energy
conversion
storage
systems.
Owing
the
large
radius,
strong
oxophilicity,
unique
electronic
properties,
rare‐earth
(RE)
elements
widely
investigated
as
oxide
carriers
promoters
atomically
manipulate
regulate
structure
of
active
species.
Single‐atom
state
with
an
adjustable
coordination
environment
on
N‐doped
carbon
endows
RE
metals
special
states
outstanding
catalytic
performances.
A
thorough
comprehension
modulation
mechanism
paves
way
for
construction
advanced
RE‐based
electrocatalysts
high
activity,
stability,
selectivity.
This
review
provides
widespread
insight
into
roles
modulating
properties
combined
structure–performance
relationship
electrocatalysis
processes.
The
characteristic
physical
chemical
are
highlighted,
synthetic
strategy
is
discussed.
Finally,
summary
perspectives
rational
design
development
highly
efficient
catalysts
proposed.
aims
provide
guideline
promoting
effective
functional
materials.
Advanced Functional Materials,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 5, 2025
Abstract
Considering
the
exceptional
electronic
regulation
capability,
p‐block
elements
can
be
used
to
regulate
charge
density
of
traditional
transition
metal
catalysts.
In
this
work,
CoGa‐NS‐C
dual‐atom
catalysts
(DACs)
are
successfully
synthesized
through
co‐precipitation
and
post‐annealing
treatment.
The
atomic
dispersion
Co
Ga
synergistic
coordination
structure
CoN
3
S
1
GaN
4
confirmed
by
AC‐TEM,
EXAFS,
XPS.
Due
steric
hindrance
effect
adsorbed
*
OH
on
site
asymmetric
heteroatom
species,
adsorption
energy
OOH
intermediation
neighboring
is
thus
enhanced
greatly,
resulting
in
enhancement
2e‐ORR
pathway.
Besides,
Co─OH
intermediates
detected
situ
FT‐IR
EC‐SHINERS
spectroscopy.
A
high
H
2
O
selectivity
90.3%
a
fast
production
rate
1.12
mol
h
−1
g
reached.
addition,
cathodic
oxygen
reduction
couple
with
sulfion
oxidation
reaction
(SOR)
instead
energy‐intensive
OER
reaction.
coupling
system,
SOR
potential
1.31
V
lower
than
process
at
current
intensity
100
mA.
Both
proposed
DACs
strategy
ORR‐SOR
system
beneficial
for
achieving
efficient
energy‐effective
2e‐ORR.
The Journal of Physical Chemistry Letters,
Год журнала:
2025,
Номер
16(6), С. 1424 - 1431
Опубликована: Янв. 31, 2025
Dual-metal
site
catalysts
(DMSCs)
supported
on
nitrogen-doped
graphene
have
shown
great
potential
in
heterogeneous
catalysis
due
to
their
unique
properties
and
enhanced
efficiency.
However,
the
precise
control
stabilization
of
metal
dimers,
particularly
oxygen
activation
reactions,
present
significant
challenges
practical
applications.
In
this
study,
we
integrate
high-throughput
density
functional
theory
calculations
with
machine
learning
techniques
predict
optimize
catalytic
DMSCs.
Transfer
is
employed
enhance
model's
generalization
capability,
successfully
predicting
performance
across
new
combinations.
Additionally,
application
SISSO
method
enables
derivation
interpretable
symbolic
regression
models,
revealing
critical
correlations
between
electronic
structure
features
This
approach
not
only
advances
understanding
dual-metal
but
also
provides
a
novel
framework
for
systematic
design
optimization
highly
efficient
catalysts,
broad
applicability
science.
Abstract
Seawater
electrocatalysis
is
urgently
needed
for
various
energy
storage
and
conversion
systems.
However,
the
adsorption
of
chloride
ions
(Cl
−
)
to
active
sites
can
degrade
oxygen
reduction
reaction
(ORR)
activity
stability,
thus
reducing
catalytic
performance.
In
this
paper,
a
curved
FeN
4
single
atomic
structure
designed
by
utilizing
curvature
engineering,
which
turns
harmful
Cl
into
benefit
on
Fe
site
that
changes
rate
determining
step
ORR
reduces
overall
barrier
according
density
functional
theory
(DFT)
calculation.
Experimental
studies
reveal
prepared
highly‐curved
single‐atom
iron
catalyst
(HC‐Fe
SA
exhibits
excellent
in
different
electrolytes,
with
half‐wave
potentials
0.90
V
0.1
M
KOH,
simulated
seawater,
0.75
natural
respectively.
This
work
opens
up
an
avenue
synthesis
high‐performance
seawater‐based
catalysts
through
regulating
local
curvature.
Research Square (Research Square),
Год журнала:
2025,
Номер
unknown
Опубликована: Март 4, 2025
Abstract
High-entropy
oxides
(HEOs)
consist
of
multiple
principal
metal
cations
and
oxygen
anions,
which
enhances
compositional
versatility
promotes
the
emergence
atypical
properties
within
oxide
materials.
Nonetheless,
precisely
shaping
HEOs
in
hollow
nanostructures
remains
a
significant
challenge
due
to
disparate
nucleation
growth
kinetics
various
compositions
HEOs.
Herein,
we
present
general
strategy
for
versatile
synthesis
multicomponent
nanocubes
libraries
from
ternary
octonary.
A
template-assisted
route
inspired
by
coordinating
etching
was
utilized
through
meticulous
selection
etchant
optimization
reaction
conditions.
This
distinctive
approach
demonstrates
potential
designing
high-quality
with
diverse
at
room
temperature,
potentially
manifest
promising
prospects
applications.
Advanced Science,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 11, 2025
Abstract
Transition
metal
and
oxide
heterojunctions
have
been
widely
studied
as
bifunctional
oxygen
reduction/evolution
reaction
(ORR/OER)
electrocatalysts
for
Zn‐air
batteries,
but
the
dynamic
changes
of
transition
oxides
interface
during
catalysis
are
still
unclear.
Here,
electrocatalyst
Co─Co
2
Nb
5
O
14
is
reported,
containing
lattice
interlocked
Co
nanodots
nanorods,
which
construct
a
strong
metal‐support
interaction
(SMSI)
interface.
Unlike
recognition
that
metals
mainly
serve
ORR
active
sites
OER
sites,
it
found
both
ORR/OER
originate
from
,
while
acts
an
electronic
regulatory
unit.
The
SMSI
promotes
electron
transfer
between
Co/Co
reversible
4+
/Nb
5+
realize
bidirectional
adsorption/migration
intermediates,
thereby
achieving
reconstitution.
shows
high
half‐wave
potential
0.84
V,
low
overpotential
296.3
mV,
great
cycling
stability
over
30000
s.
ZAB
capacity
850.6
mA
h·gZn
−1
can
stably
run
2050
cycles
at
10
mA·cm⁻
.
Moreover,
constructed
solid‐state
also
leading
in
comparison
with
previous
studies.
