Wiley Interdisciplinary Reviews Computational Molecular Science,
Год журнала:
2025,
Номер
15(1)
Опубликована: Янв. 1, 2025
ABSTRACT
The
catalytic
CO
2
hydrogenation
to
produce
valuable
fuels
and
chemicals
holds
immense
importance
in
addressing
energy
scarcity
environmental
degradation.
Given
that
the
real
reaction
system
is
complex
dynamic,
structure
of
catalysts
might
experience
dynamic
evolution
under
conditions.
It
implies
active
sites
only
generated
during
process.
induction
factor
could
be
reactants,
intermediates,
products,
other
local
chemical
environments.
Utilizing
in‐situ/operando
characterization
techniques
allows
for
real‐time
observation
process,
further
combining
multiscale
theoretical
simulations
can
effectively
reveal
refined
mechanisms.
Herein,
we
summarized
latest
advancements
understanding
mechanisms
process
C
1
products
(CH
3
OH,
CO,
CH
4
).
evolutions
catalyst
morphology,
size,
valence
state,
interface
between
component
support
were
discussed,
respectively.
Future
research
benefit
from
more
in‐situ
simulation
explore
microstructure
mechanism,
aiming
high
conversion
selectivity
reactions.
Angewandte Chemie International Edition,
Год журнала:
2024,
Номер
63(44)
Опубликована: Авг. 7, 2024
Abstract
Electrocatalytic
nitrate
(NO
3
−
)
reduction
to
ammonia
(NRA)
offers
a
promising
pathway
for
synthesis.
The
interfacial
electronic
interactions
(IEIs)
can
regulate
the
physicochemical
capabilities
of
catalysts
in
electrochemical
applications,
while
impact
IEIs
on
electrocatalytic
NRA
remains
largely
unexplored
current
literature.
In
this
study,
high‐efficiency
electrode
Ag‐modified
Co
O
4
(Ag
1.5
Co/CC)
is
prepared
neutral
media,
exhibiting
an
impressive
conversion
rate
96.86
%,
Faradaic
efficiency
96.11
and
selectivity
~100
%.
Notably,
intrinsic
activity
Ag
Co/CC
~81
times
that
nanoparticles
(Ag/CC).
Multiple
characterizations
theoretical
computations
confirm
presence
between
,
which
stabilize
CoO
6
octahedrons
within
significantly
promote
adsorption
reactants
as
well
intermediates
2
NO),
suppressing
Heyrovsky
step,
thereby
improving
electroreduction
efficiency.
Furthermore,
our
findings
reveal
synergistic
effect
different
active
sites
enables
tandem
catalysis
NRA:
NO
predominantly
occurs
at
tends
hydrogenate
sites.
This
study
valuable
insights
development
high‐performance
electrocatalysts.
Environmental Science & Technology,
Год журнала:
2024,
Номер
58(42), С. 18456 - 18473
Опубликована: Окт. 10, 2024
Volatile
organic
compounds
(VOCs)
are
considered
to
be
the
most
recalcitrant
gaseous
pollutants
due
their
high
toxicity,
diversity,
complexity,
and
stability.
Gas-solid
catalytic
oxidation
methods
have
been
intensively
studied
for
VOC
treatment
while
being
greatly
hampered
by
energy
consumption,
catalyst
deactivation,
byproduct
formation.
Recently,
aqueous
advanced
processes
(AOPs)
attracted
increasing
interest
deep
of
VOCs
at
room
temperature,
owing
generation
abundant
reactive
oxygen
species
(ROS).
However,
current
reviews
mainly
focus
on
degradation
performance
not
clarified
specific
reaction
process,
products,
paths
in
different
AOPs.
This
study
systematically
recent
advances
application
AOPs
removal.
First,
gas-liquid
mass
transfer
chemical
presented.
Second,
latest
research
progress
removal
various
ROS
is
reviewed
performances,
pathways,
mechanisms.
Finally,
challenges
future
strategies
discussed
from
perspectives
synergistic
mixtures,
accurate
oxidation,
resource
utilization
target
via
perspective
provides
information
inspiration
industrial
waste
gas
treatment.
Journal of the American Chemical Society,
Год журнала:
2025,
Номер
unknown
Опубликована: Апрель 9, 2025
Supported
metal
or
oxide
nanostructures
catalyze
many
industrial
reactions,
where
the
interaction
of
overlayer
with
its
support
can
have
a
substantial
influence
on
catalytic
performance.
In
this
work,
we
show
that
small
Pt
species
be
well
stabilized
CeO2
under
both
H2-containing
and
O2-containing
atmospheres
but
sintering
happens
SiO2,
indicating
is
active
whereas
SiO2
inert
in
Pt-support
interaction.
On
other
hand,
Co
(CoOx)
supported
maintain
low-valence
Co2+
state
air
during
CO2
hydrogenation
to
CO,
strong
CoOx
SiO2.
However,
has
weak
easily
reduced
metallic
reaction
producing
CH4.
Thus,
active,
for
CoOx-support
interaction,
which
counter
common
sense
from
Pt/oxide
systems.
Systematic
studies
stability
behaviors
nanocatalysts
various
oxides
reducibility
supports
used
describe
catalyst-support
Oxide
high
low
metal-oxygen
bond
strength
interact
strongly
metals,
showing
metalphilicity.
Conversely,
oxides,
having
oxidephilicity.
Advanced Functional Materials,
Год журнала:
2024,
Номер
34(51)
Опубликована: Авг. 29, 2024
Abstract
The
conversion
of
carbon
dioxide
(CO
2
)
into
value‐added
chemicals
presents
an
innovative
pathway
for
advancing
the
low‐carbon
clean
energy
revolution,
contributing
significantly
to
CO
emission
reduction
and
resource
utilization.
Recently,
In
O
3
‐based
catalysts
have
emerged
as
a
promising
frontier
in
hydrogenation
research.
This
review
provides
comprehensive
introduction
latest
advancements
application
across
thermal,
photocatalytic,
photothermal
catalysis
platforms.
examines
critical
aspects
such
structural
properties,
active
sites,
reaction
mechanisms,
performance
enhancement,
product
impact,
development
multi‐functional
catalytic
systems.
Thermal
Catalysis
involves
elevated
temperatures
initiate
drive
reactions.
Photocatalysis,
on
other
hand,
harnesses
light
facilitate
these
Among
approaches,
has
particularly
method
hydrogenation,
offering
several
advantages
over
both
thermal
photocatalysis.
These
include
more
efficient
utilization,
broader
range
conditions,
enhanced
synergistic
effects,
selective
activation,
improved
environmental
sustainability.
not
only
summarizes
current
state
research
this
field
but
also
may
provide
insights
guidance
future
studies
aimed
at
artificial
cycling
processes.
