The Tiara Nickel Cluster Story from Theory to Catalytic Applications
Precision Chemistry,
Год журнала:
2025,
Номер
3(4), С. 157 - 171
Опубликована: Янв. 9, 2025
As
a
transition
material
between
bulk
materials
and
individual
atoms,
nickel
clusters
have
interesting
electrical
structural
characteristics
that
could
make
them
useful
as
catalysts.
To
examine
the
catalytic
efficiency
of
in
different
applications,
this
Review
combines
experimental
techniques
with
density
functional
theory
(DFT).
Researchers
shown
can
activate
alter
tiny
molecules
like
CO,
NO,
H2
through
DFT
studies
delve
deeply
into
their
electronic
structures,
adsorption
mechanisms,
stability.
These
findings
lay
groundwork
for
development
effective
catalysts
various
processes.
Nickel
considerably
improve
hydrogen
evolution
reaction
(HER),
indicating
promise
renewable
energy
conversion.
Furthermore,
electrocatalysis
oxygen
(OER)
showcases
electrochemical
performance
clusters,
demonstrating
stability
efficiency.
The
adaptability
is
further
demonstrated
by
use
nitrogen
reduction
to
ammonia.
Experimental
data
confirm
these
are
good
crucial
industrial
activity.
Hydrocarbon
reforming
pollutant
degradation
two
areas
which
research
has
be
thermal
reactions.
X-ray
absorption
spectroscopy
(XAS)
environmental
transmission
electron
microscopy
(ETEM)
examples
situ
characterization
support
theoretical
predictions
providing
real-time
insights
alterations
active
sites
during
Preparing
way
future
practical
applications
technologies,
thorough
study
highlights
great
potential
constructing
sustainable
efficient
systems.
Язык: Английский
One-step synthesis of hollow Ce-doped ZnIn2S4/MOF(Ce) heterojunctions with hard-soft acid-base coordination for enhanced hydrogen evolution
Jiaxu Wei,
Guoying Tan,
Runsheng Liu
и другие.
Science China Chemistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 27, 2025
Язык: Английский
Engineering Atomic Sites and Proton Transfer Microenvironments for Bioinspired Photocatalytic Alcohol‐Amine Coupling
Small,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 21, 2025
Achieving
a
precise
understanding
and
accurate
design
of
heterogeneous
catalysts
based
on
bioinspired
principles
is
challenging
yet
crucial
to
digging
out
optimal
materials
for
artificial
catalysis.
Here,
an
ADH-mimicking
dual-site
photocatalyst
(YCuCdS)
developed,
demonstrates
the
powerful
effects
atomic
site
configuration
proton
transfer
environments
alcohol-amine
coupling.
Mechanism
studies
reveal
that
alcohol
substrate
effectively
dehydrogenated
at
Y
sites,
forming
carbonyl
intermediates
rapidly
experience
condensation
with
amine.
Meanwhile,
released
hydrogen
species
(Hads)
migrate
from
adjacent
Cu
sites
active
S
atoms,
promoting
H2
production
hindering
over-hydrogenation
imine.
As
result,
high
imine
yield
92%
achieved,
along
rate
7400
µmol
g-1
h-1.
This
work
showcases
effective
strategy
bioinspiration.
Язык: Английский
Regulating the Combinations of Donor and Acceptor Units via DFT Calculations for Photocatalysts with Efficient Electron–Hole Separation and Transfer Dynamics
ACS Applied Materials & Interfaces,
Год журнала:
2025,
Номер
unknown
Опубликована: Апрель 3, 2025
Donor-acceptor
(D-A)-type
conjugated
microporous
polymers
(CMPs)
are
considered
promising
photocatalytic
materials
due
to
their
easily
tunable
structures
and
optical
properties.
However,
the
rational
combination
of
D
A
units
design
D-A-type
CMPs
with
efficient
electron-hole
separation
transfer
dynamics
remains
an
ongoing
challenge.
Herein,
we
employed
Density
Functional
Theory
(DFT)
calculations
evaluate
16
potential
D-A
pair
combinations
respective
dynamics.
These
consisted
M-salens
(M
=
Zn,
Cu,
Co,
Ni)
as
bromine-containing
monomers
four
alkyne-based
monomers:
2,4,6-tris(4-ethynylphenyl)-1,3,5-triazine
(TEPT),
4,4″-diethyl-5'-(4-ethynylphenyl)-1,
1':3',1″-terphenyl
(TEPB),
tris(4-ethynylphenyl)
amine
(TEPA),
3,7-diethyl-10-(4-ethynylphenyl)-10H-phenothiazine
(TEPP).
Eight
were
obtained
via
DFT
calculation,
ranking
follows:
Zn-salen-TEPA
>
Zn-salen-TEPP
Zn-salen-TEPT
Cu-salen-TEPP
Cu-salen-TEPA
Cu-salen-TEPT
Ni-salen-TEPT
Co-salen-TEPT.
Based
on
these
results,
three
pairs
exhibiting
highest
selected
for
synthesis
corresponding
subsequent
photoelectric
characterization.
Experimental
enhancements
aligned
closely
predictions.
Notably,
aerobic
oxidative
amidation
diverse
aldehydes
amines
catalyzed
by
under
blue
LED
irradiation
achieved
a
yield
up
97%,
which
surpassed
performance
most
reported
works.
This
work
offers
novel
perspectives
endowed
highly
activity.
Язык: Английский
Unlocking new frontiers in ultrasmall-seized metal nanoclusters for boosting electrochemical energy conversions
Sanwal Piracha,
Xinrui Gu,
Yifei Zhang
и другие.
Chemical Physics Reviews,
Год журнала:
2025,
Номер
6(2)
Опубликована: Апрель 7, 2025
Ultrasmall
metal
nanoclusters
are
revolutionary
developments
in
sustainable
chemical
synthesis
and
electrochemical
energy
conversion.
Critical
activities
including
the
oxygen
evolution
reaction,
reduction
electrosynthesis
of
urea
via
nitrate
carbon
dioxide
co-reduction
addressed
by
their
distinctive
atomic-scale
designs,
which
provide
remarkable
catalytic
activity,
selectivity,
stability.
Recent
advancements
design
these
materials
compiled
this
study,
highlights
how
electrical
characteristics
structural
tunability
enable
high-efficiency
conversions.
Important
issues
examined
critically,
along
with
new
approaches
to
overcome
them,
such
as
operational
stability,
scalable
manufacturing,
financial
constraints
noble
metals.
Innovative
strategies
machine
learning-guided
catalyst
tuning,
hybrid
material
systems,
synergistic
effects
given
special
attention.
This
analysis
offers
a
road
map
for
overcoming
sophisticated
catalysts'
present
drawbacks
combining
computational
modeling
experimental
observations.
Their
potential
transform
technologies
promote
creation
environmentally
benign,
solutions
applications
is
highlighted
debate.
The
importance
single-atom
catalysts
ultrasmall
meeting
urgent
worldwide
need
study.
Язык: Английский