Advanced Materials,
Год журнала:
2024,
Номер
36(29)
Опубликована: Май 20, 2024
Mott-Schottky
construction
and
plasmon
excitation
represent
two
highly-efficient
closely-linked
coping
strategies
to
the
high
energy
loss
of
oxygen
evolution
reaction
(OER),
but
combined
effect
has
rarely
been
investigated.
Herein,
with
Ag
nanoparticles
as
electronic
structure
regulator
exciter,
Ag/CoV-LDH@G
nanohybrids
(NHs)
heterojunction
notable
are
well-designed.
Combining
theoretical
calculations
experiments,
it
is
found
that
modulates
Fermi
level/energy
band
CoV-LDH,
which
in
turn
leads
lowered
d-band
center
(from
-0.89
-0.93),
OER
barrier
6.78
1.31
eV),
preeminent
thermal/electronic
effects.
The
thermal
can
offset
endothermic
enthalpy
change
OER,
promote
deprotonation
*OOH,
accelerate
electron
transfer
kinetics.
Whereas
increase
density
charge
carriers
0.70
×
10
Nano-Micro Letters,
Год журнала:
2023,
Номер
15(1)
Опубликована: Фев. 16, 2023
The
electrocatalytic
water
splitting
technology
can
generate
high-purity
hydrogen
without
emitting
carbon
dioxide,
which
is
in
favor
of
relieving
environmental
pollution
and
energy
crisis
achieving
neutrality.
Electrocatalysts
effectively
reduce
the
reaction
barrier
increase
efficiency.
Facet
engineering
considered
as
a
promising
strategy
controlling
ratio
desired
crystal
planes
on
surface.
Owing
to
anisotropy,
with
different
orientations
usually
feature
facet-dependent
physical
chemical
properties,
leading
differences
adsorption
energies
oxygen
or
intermediates,
thus
exhibit
varied
activity
toward
evolution
(HER)
(OER).
In
this
review,
brief
introduction
basic
concepts,
fundamental
understanding
mechanisms
well
key
evaluating
parameters
for
both
HER
OER
are
provided.
formation
facets
comprehensively
overviewed
aiming
give
scientific
theory
guides
realize
dominant
planes.
Subsequently,
three
strategies
selective
capping
agent,
etching
coordination
modulation
tune
summarized.
Then,
we
present
an
overview
significant
contributions
facet-engineered
catalysts
HER,
OER,
overall
splitting.
particular,
highlight
that
density
functional
calculations
play
indispensable
role
unveiling
structure–activity
correlation
between
plane
catalytic
activity.
Finally,
remaining
challenges
provided
future
prospects
designing
advanced
electrocatalysts
discussed.
Abstract
Transition‐metal‐based
layered
double
hydroxides
(TM‐LDHs)
nanosheets
are
promising
electrocatalysts
in
the
renewable
electrochemical
energy
conversion
system,
which
regarded
as
alternatives
to
noble
metal‐based
materials.
In
this
review,
recent
advances
on
effective
and
facile
strategies
rationally
design
TM‐LDHs
electrocatalysts,
such
increasing
number
of
active
sties,
improving
utilization
sites
(atomic‐scale
catalysts),
modulating
electron
configurations,
controlling
lattice
facets,
summarized
compared.
Then,
these
fabricated
for
oxygen
evolution
reaction,
hydrogen
urea
oxidation
nitrogen
reduction
small
molecule
oxidations,
biomass
derivatives
upgrading
is
articulated
through
systematically
discussing
corresponding
fundamental
principles
reaction
mechanism.
Finally,
existing
challenges
density
catalytically
future
prospects
nanosheets‐based
each
application
also
commented.
ACS Omega,
Год журнала:
2022,
Номер
7(39), С. 35118 - 35135
Опубликована: Сен. 19, 2022
Upon
various
investigations
conducted
in
search
for
a
nanosensor
material
with
the
best
sensing
performance,
need
to
explore
these
materials
cannot
be
overemphasized
as
associated
attributes
are
of
vast
interest
researchers.
Hence,
there
is
investigate
adsorption
performances
metal-doped
fullerene
surfaces:
C59Au,
C59Hf,
C59Hg,
C59Ir,
C59Os,
C59Pt,
C59Re,
and
C59W
on
thiourea
[SC(NH2)2]
molecule
using
first-principles
density
functional
theory
computation.
Comparative
study
has
been
carried
out
models
four
functionals,
M06-2X,
M062X-D3,
PBE0-D3,
ωB97XD,
two
double-hybrid
(DH)
DSDPBEP86
PBE0DH,
reference
at
Gen/def2svp/LanL2DZ.
The
visual
weak
interactions
such
quantum
atoms
analysis
noncovalent
interaction
invoked
ascertain
results,
hence
we
arrived
conclusive
scientific
report.
In
all
cases,
observed
described
physisorption
phenomena,
CH4N2S@C59Pt
complex
exhibits
better
than
its
studied
counterparts
between
transition
surfaces.
Also,
comparative
study,
DH
functionals
show
performance
estimating
energies
due
their
reduced
mean
absolute
deviation
(MAD)
root-mean-square
(RMSD)
values
(MAD
=
1.0305,
RMSD
1.6277)
0.9965,
1.6101)
respectively.
Advanced Functional Materials,
Год журнала:
2023,
Номер
34(12)
Опубликована: Дек. 6, 2023
Abstract
Realizing
rapid
transformation
of
hydroxide
to
high‐active
oxyhydroxide
species
in
layered
double
(LDH)
catalyst
plays
a
significant
role
enhancing
its
activity
toward
oxygen
evolution
reaction
(OER)
for
hydrogen
production
from
water.
Here,
scalable
strategy
is
developed
synthesize
defect‐rich
few‐layered
NiFe‐LDH
nanosheets
(f‐NiFe‐LDH‐B)
with
situ
borate
modified
boosted
and
stable
OER
due
that
the
can
narrow
bandgap
Ni
sites
realize
more
conductive
electronic
structure.
Besides,
adsorbed
tune
d
band
center
promote
facilitate
adsorption
intermediates.
The
f‐NiFe‐LDH‐B
catalyst,
therefore,
requires
only
209
249
mV
overpotential
deliver
10
100
mA
cm
−2
OER,
respectively,
Tafel
slope
43.5
dec
−1
.
Moreover,
1.8
V
cell
voltage
required
reach
Ampere‐level
overall
water
splitting
500
h
at
room
temperature.
Materials Horizons,
Год журнала:
2023,
Номер
10(7), С. 2312 - 2342
Опубликована: Янв. 1, 2023
The
application
and
prospect
of
Fe/Co/Ni-based
catalysts
modified
by
interface
engineering,
biomass
electrooxidation
reaction
(BEOR)
coupled
with
hydrogen
evolution
(HER)
in
water
splitting
are
summarized.
