Advanced Functional Materials,
Год журнала:
2024,
Номер
unknown
Опубликована: Окт. 6, 2024
Abstract
Electrocatalytic
carbon
dioxide
reduction
reaction
(CO
2
RR)
has
been
recognized
as
a
promising
route
to
convert
emissions
high‐value
chemicals
and
fuels.
Significant
breakthroughs
are
usually
inseparable
from
deeper
understanding
of
mechanisms.
To
this
end,
molecular
dynamics
(MD)
simulations
have
invaluable
in
providing
detailed
insights
into
elucidation
complex
pathways
prediction
overall
electrochemical
performance,
thus
bridging
macroscopic
experimental
observations
microscopic
explanatory
Directed
by
MD
simulations,
tremendous
efforts
devoted
toward
enhancing
the
CO
RR
with
rational
design
electrocatalyst
efficient
construction
electrode/electrolyte
interface.
Herein,
comprehensive
review
applications
is
emerged.
begin
with,
specific
fundamentals
along
familiar
methods
such
algorithm
force
fields
various
summed
up.
Followed,
employment
optimization
introduced,
encompassing
interpretation
activity,
explanation
electrolyte
effect,
investigation
electrode
microenvironment.
Definitively,
imminent
challenges
avenues
for
future
contemplated,
envisioning
guiding
beacon
endeavors
aimed
at
harnessing
propel
realm
heightened
efficiency,
economic
viability,
practical
utility.
Sustainable Energy & Fuels,
Год журнала:
2024,
Номер
8(16), С. 3476 - 3495
Опубликована: Янв. 1, 2024
Flatland
materials
were
meticulously
surveyed
to
explore
their
functionality
in
photochemical
and
electrochemical
nitrogen
reduction
reaction
applications.
New
insights
are
presented
for
pilot-scale
NRR
operations
via
2D
materials.
Chemical Society Reviews,
Год журнала:
2024,
Номер
unknown
Опубликована: Янв. 1, 2024
The
global
goal
for
decarbonization
of
the
energy
sector
and
chemical
industry
could
become
a
reality
by
massive
increase
in
renewable-based
technologies.
For
this
clean
transition,
versatile
green
ammonia
may
play
key
role
future
as
fossil-free
fertilizer,
long-term
storage
medium,
feedstock,
burning
fuel
transportation
decentralized
power
generation.
high
energy-intensive
industrial
production
has
triggered
researchers
to
look
step
change
new
synthetic
approaches
powered
renewable
energies.
This
review
provides
comprehensive
comparison
light-mediated
N
Journal of the American Chemical Society,
Год журнала:
2024,
Номер
146(47), С. 32161 - 32205
Опубликована: Ноя. 18, 2024
Covalent
organic
frameworks
(COFs)
are
created
by
the
condensation
of
molecular
building
blocks
and
nodes
to
form
two-dimensional
(2D)
or
three-dimensional
(3D)
crystalline
frameworks.
The
diversity
with
different
properties
functionalities
large
number
possible
framework
topologies
open
a
vast
space
well-defined
porous
architectures.
Besides
more
classical
applications
materials
such
as
absorption,
separation,
catalytic
conversions,
interest
in
optoelectronic
COFs
has
recently
increased
considerably.
electronic
both
their
linkage
chemistry
can
be
controlled
tune
photon
absorption
emission,
create
excitons
charge
carriers,
use
these
carriers
photocatalysis,
luminescence,
chemical
sensing,
photovoltaics.
In
this
Perspective,
we
will
discuss
relationship
between
structural
features
properties,
starting
connectivity,
layer
stacking
2D
COFs,
control
over
defects
morphology
including
thin
film
synthesis,
exploring
theoretical
modeling
structural,
electronic,
dynamic
discussing
recent
intriguing
focus
on
photocatalysis
photoelectrochemistry.
We
conclude
some
remarks
about
present
challenges
future
prospects
powerful
architectural
paradigm.
Low-temperature
direct
ammonia
fuel
cell
(DAFC)
stands
out
as
a
more
secure
technology
than
the
hydrogen
system,
while
there
is
still
lack
of
elegant
bottom-up
synthesis
procedures
for
efficient
oxidation
reaction
(AOR)
electrocatalysts.
The
widely
accepted
d-band
center,
even
with
consideration
width,
usually
fails
to
describe
variations
in
AOR
reactivity
many
practical
conditions,
and
accurate
activity
descriptor
necessary
less
empirical
path.
Herein,
upper
edge,
εu,
derived
from
model,
identified
an
effective
accurately
establishing
descriptor–activity
relationship.
Using
PtCo
alloy
varying
atomic
composition
example,
εu
value
succeeds
reflecting
corresponding
trends
activity,
showing
striking
linear
correlation
coefficient
determination
(R2)
high
0.90.
effectiveness
established
relationship
verified
experimentally.
optimum
electrocatalyst
delivers
excellent
peak
current
density
74.04
A
g–1
at
5
mV
s–1,
assembled
DAFC
generates
power
density,
outperforming
majority
extensively
reported
systems.
This
work
brings
fundamental
insights
into
between
chemical
electronic
structure
benefits
rational
optimization
next-generation
low-temperature
DAFC.
Advanced Materials,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 9, 2025
Abstract
Coupling
ion
exclusion
and
interaction
screening
within
sub‐nanoconfinement
channels
in
novel
porous
material
membranes
hold
great
potential
to
realize
highly
efficient
sieving,
particularly
for
high‐performance
lithium‐ion
extraction.
Diverse
kinds
of
advanced
have
been
previously
reported
this
goal
but
with
moderate
performance
complex
operations
gained.
Herein,
these
issues
are
circumvented
by
preparing
the
consecutive
intact
imine‐linked
three‐dimensional
covalent
organic
framework
(i.e.,
COF‐300)
via
a
simple
solvothermal
approach
employing
intrinsically
interconnected
sub‐1
nm
one‐dimensional
exceptional
sieving.
The
synthesized
charged
angstrom
scale
≈0.78
achieve
an
excellent
Li
+
permeance
(0.123
mol
m
−2
h
−1
)
ultrahigh
/Mg
2+
36
binary
system.
experimental
measurement
theoretical
calculation
reveal
that
channel
size
right
exactly
between
Mg
enables
restricted
penetration.
Meanwhile,
affinity
imine
groups
further
strengthens
fast
permeability
severely
suppresses
passage.
In
particular,
framwork
also
remarkable
separation
during
long‐term
operation
test
without
sacrificing
trade‐off,
demonstrating
chemistry
stability
mechanical
integrity
under
high‐salinity
aqueous
environment.
Rationally
designing
photocatalysts
is
crucial
for
the
solar-driven
nitrogen
reduction
reaction
(NRR)
due
to
stable
N≡N
triple
bond.
Metal-organic
frameworks
(MOFs)
are
considered
promising
candidates
but
suffer
from
insufficient
active
sites
and
inferior
charge
transport.
Herein,
it
demonstrated
that
incorporating
3d
metal
ions,
such
as
zinc
(Zn)
or
iron
(Fe)
into
Al-coordinated
porphyrin
MOFs
(Al-PMOFs)
enables
enhanced
ammonia
yield
of
88.7
65.0
µg
g
Advanced Functional Materials,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 28, 2025
Abstract
Developing
sustainable
technologies
for
ammonia
production
through
electrochemical
reactions
offers
a
promising
alternative
by
leveraging
renewable
energy
sources
to
produce
under
ambient
conditions.
These
methods
include
nitrogen
reduction
reaction
(NRR),
nitric
oxide
(NORR),
nitrite
(NO
2
RR),
and
nitrate
3
RR).
Optimizing
efficiency
(EE)
in
synthesis
has
become
increasingly
crucial
as
commercialization
approaches.
Herein,
this
work
comprehensive
study
of
system
EE
improvements
the
theoretical
voltage
calculations
based
on
pH
expansion
bifunctional
catalysts
like
transition
metal
dichalcogenides
(TMDs),
which
can
efficiently
catalyze
oxygen
evolution
(OER)
synthesis.
The
review
summarizes
pH‐dependent
redox
potential
Pourbaix
diagrams
NRR,
NO
RR,
offering
insights
into
potential‐pH
regions
where
oxides
are
reduced
NH
.
Incorporating
design
enables
researchers
minimize
losses
better
improve
overall
performance.
Finally,
wraps
up
exploring
roles
TMD
different
mechanisms
identifying
areas
improvement.
broader
impact
lies
its
transform
alignment
with
global
efforts
reduce
greenhouse
gas
emissions.
Advanced Science,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 31, 2025
Ammonia
(NH3)
is
esteemed
for
its
attributes
as
a
carbon-neutral
fuel
and
hydrogen
storage
material,
due
to
high
energy
density,
abundant
content,
notably
higher
liquefaction
temperature
in
comparison
gas.
The
primary
method
the
synthetic
generation
of
NH3
Haber-Bosch
process,
involving
rigorous
conditions
resulting
significant
global
consumption
carbon
dioxide
emissions.
To
tackle
environmental
challenges,
exploration
innovative
green
sustainable
technologies
synthesis
imperative.
Rapid
advances
electrochemical
technology
have
created
fresh
prospects
researchers
realm
environmentally
friendly
synthesis.
Nevertheless,
intricate
intermediate
products
sluggish
kinetics
reactions
impede
progress
(EAS)
technologies.
improve
activity
selectivity
EAS,
which
encompasses
electrocatalytic
reduction
nitrogen
gas,
nitrate,
nitric
oxide,
numerous
electrocatalysts
design
strategies
been
meticulously
investigated.
Here,
this
review
primarily
delves
into
recent
obstacles
EAS
pathways,
examining
methods
boost
yield
rate
current
efficiency
via
multidimensional
structural
optimization,
while
also
exploring
challenges
outlook
EAS.
