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.
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.
The Journal of Physical Chemistry Letters,
Год журнала:
2025,
Номер
unknown, С. 2742 - 2751
Опубликована: Март 7, 2025
Single-atom
catalysts
(SACs)
exhibit
tremendous
advantages
in
the
electrochemical
N2
oxidation
reaction
(EN2OR)
to
HNO3,
which
is
an
eco-friendly
alternative
synthesis
of
conventional
industrial
nitric
acid
and
nitrates,
but
methods
rationally
design
rapidly
screen
high-efficiency
EN2OR
SACs
are
unclear.
Herein,
taking
pyridinic
nitrogen-doped
graphene-supported
as
example,
a
simple
descriptor
has
been
proposed
evaluate
performance
through
systematically
constructing
surface
phase
diagram.
This
comprised
merely
geometric
information
inherent
atomic
properties
(occupied
d
electron
number,
electronegativity,
coordinate
number)
that
can
accurately
predict
activity
selectivity
EN2OR,
independent
DFT
simulations.
Based
on
this
descriptor,
high-throughput
screening
executed
partially
N/C/O
coordinated
SACs,
including
160
candidates;
13
candidates
with
overpotential
less
than
1.0
V
selected
then
validated
by
calculations
mean
absolute
error
(MAE)
low
0.09
V,
indicating
reliability
descriptor.
Meanwhile,
screened
CoO2N2-G
RhO2N2-G
lower
0.64
0.68
more
negative
UL(EN2OR)
-
UL(OER)
values
-0.34
-0.44
comparison
other
candidates,
respectively,
demonstrating
excellent
EN2OR.
work
offers
route
rapid
discovery
high-performance
for
Well-defined
nanostructures
(WDNSs)
represent
a
transformative
frontier
in
nanotechnology,
enabling
precise
control
over
material
properties
through
nanoscale
engineering.
The
connectivity
of
building
blocks
is
increasingly
critical
defining
the
and
applications
WDNSs.
Traditional
dimensionality-based
classifications
provide
foundational
insights
but
overlook
delicate
influence
architectures
on
functionality.
This
perspective
introduces
supplementary
classification
framework
based
modes,
including
discrete
connections,
serial
2.5D
3D
interpenetrations.
Each
category
defines
specific
structural
configurations
that
decide
spatial
arrangement,
interaction
dynamics,
functional
integration
components.
establishes
unique
for
understanding
WDNSs,
linking
their
design
with
diverse
catalysis,
energy
storage,
biomedicine,
beyond.
By
regulating
strategies
emerging
demands,
WDNSs
offer
considerable
opportunities
designing
multifunctional
materials,
providing
foundation
advancing
nanotechnology
addressing
complex
scientific
societal
challenges.
Finally,
advanced
rational
design,
accurate
synthesis,
comprehensive
deployment,
sustainable
development
remain
to
bottlenecks
development.
Chemical Society Reviews,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 1, 2025
This
review
examines
the
strategies
of
symmetry
breaking
(charge/coordination/geometric)
in
single-atom
catalysts
to
regulate
active
site
electronic
structures,
greatly
enhancing
catalytic
performance.
Inorganic Chemistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 27, 2025
Rationally
optimizing
the
atomic
and
electronic
structure
of
electrocatalysts
is
an
effective
strategy
to
improve
activity
electrocatalytic
oxygen
evolution
reaction
(OER),
yet
it
remains
challenging.
In
this
work,
heterointerface
engineering
developed
accelerate
OER
by
decorating
iridium
atoms
on
low-crystalline
cobalt
hydroxide
nanosheets
(Ir–Co(OH)x)
via
oxygen-coordinated
bonds
modulate
local
structure.
Leveraging
detailed
spectroscopic
characterizations,
Ir
species
were
proved
promote
charge
transfer
through
Ir–O–Co
coordination
between
atom
Co(OH)x
support.
As
a
result,
optimized
Ir–Co(OH)x
exhibits
excellent
with
low
overpotential
251
mV
drive
10
mA
cm–2,
which
63
lower
than
that
pristine
Co(OH)x.
The
experimental
results
density
functional
theory
calculations
reveal
isolated
can
regulate
environment
configuration
Co(OH)x,
thus
accelerating
catalytic
kinetics.
This
work
provides
atomistic
for
modulation
metal
active
sites
in
design
high-performance
electrocatalysts.
