ACS Omega,
Journal Year:
2023,
Volume and Issue:
8(3), P. 3286 - 3297
Published: Jan. 10, 2023
layered
double
hydroxide
(LDH)
as
a
kind
of
2D
layer
material
has
swelling
phenomenon.
Because
significantly
affects
the
adsorption,
catalysis,
energy
storage,
and
other
application
properties
LDHs,
it
is
essential
to
study
interlayer
spacing,
structural
stability,
ion
diffusion
after
swelling.
In
this
paper,
periodic
computational
model
Ni3Al-LDH
constructed,
supramolecular
structure,
law,
anion
are
investigated
by
molecular
dynamics
theory
calculations.
The
results
show
that
water
molecules
present
regular
arrangement,
combining
with
anions
hydrogen
bonds.
As
number
increases,
bond
between
basal
gradually
weakens
disappears
when
exceeds
32.
molecule
reaching
an
extreme
value
16.
spacing
not
linear
molecules.
increases
slowly
more
than
24.
maximum
stable
at
around
19
Å.
binding
energy,
hydration
upper
limit
for
swelling:
When
16,
molecules'
structure
LDH
suitable
obtain
rate,
10.97
×
10-8
cm2·s-1.
Chemistry - An Asian Journal,
Journal Year:
2023,
Volume and Issue:
18(15)
Published: June 25, 2023
The
development
of
efficient,
durable,
and
affordable
electrocatalysts
is
critical
for
the
advancement
a
hydrogen
economy,
particularly
in
alkaline
media.
In
this
study,
we
propose
CoCrFeNi
CoCrFeNiMo
high
entropy
alloys
(HEAs)
powders
as
bifunctional
evolution
reaction
(HER)
oxygen
(OER).
While
there
performance
gap
compared
to
Pt/C,
prepared
samples
exhibit
relatively
good
electrocatalytic
activity
with
overpotentials
156.7
mV
160.5
HER
at
10
mA
cm-2
1.0
M
KOH
solution,
respectively.
Notably,
catalyst
demonstrates
significantly
higher
OER
than
commercial
RuO2
an
overpotential
390
50
,
delivers
cell
voltage
1.86
V
current
density
water
splitting.
RSC Advances,
Journal Year:
2023,
Volume and Issue:
13(8), P. 5557 - 5564
Published: Jan. 1, 2023
High
energy
density
is
still
difficult
to
achieve
using
existing
metal
sulfides
because
of
their
low
specific
capacitance.
To
improve
capacitance,
a
series
nickel
and
cobalt
with
different
Ni/Co
ratios
were
synthesized
by
two-step
hydrothermal
method.
Using
the
combining
method
experimental
research
first-principles
calculation,
morphology,
structural
stability,
electronic
structure
electrochemical
properties
investigated
systematically.
The
results
show
that
morphology
gradually
grows
from
two-dimensional
nanotube
arrays,
finally
nanorod
as
decrease.
Among
them,
NC24
sample
ratio
1
:
2
hollow
array
composed
NiCo2S4,
which
shows
excellent
performance.
capacity
reaches
1527C
g-1
at
A
g-1,
retention
93.81%
10
after
2000
cycles.
Furthermore,
symmetrical
supercapacitor
assembled
NiCo2S4
high
67.5
W
h
kg-1.
This
strategy
develops
expands
its
application
in
supercapacitor.
