Chemistry - A European Journal,
Journal Year:
2024,
Volume and Issue:
30(13)
Published: Jan. 2, 2024
Abstract
Li‐S
batteries
possess
high
energy
density
and
have
been
one
of
the
most
promising
storage
systems.
For
sulfur
cathodes,
electrochemical
performance
is
still
seriously
hindered
by
polysulfide
shuttling
sluggish
conversion
kinetics.
It
has
demonstrated
to
be
effective
strategy
address
above
issues
via
designing
electrocatalysts
with
robust
affinity
catalytic
capacity
towards
polysulfides.
However,
it
a
great
challenge
rapidly
economically
discover
high‐performance
electrocatalysts.
Herein,
using
functional
theory
calculation,
we
studied
chemisorption‐catalysis
behavior
species
on
series
(MCo
2
X
4
,
M=Co,
Zn,
Cu,
Ni,
Fe,
Mn,
X=O,
S,
Se)
assess
effect
anions
cations
co‐regulation
their
electronic
structure,
chemisorption
behavior,
property.
FeCo
Se
CuCo
combined
appropriate
superior
conductivity
reduction
predicted
as
novel
for
batteries.
This
study
gives
theoretical
guidance
rapid
discovery
high‐efficient
electrocatalyst
boost
cathodes.
To
advance
the
hydrogen
energy
economy,
developing
efficient
water-splitting
catalysts
is
crucial.
As
a
potential
candidate
for
industrial
applications,
catalytic
performance
of
CoFe2O4
at
large
current
density
needs
to
be
optimized
in
combination
with
variety
strategies.
Here,
brand-new
In-doped
cobalt
ferrite/nickel
selenide
(CoFe1.7In0.3O4/NiSe2)
heterojunction
genuine
as
highly
effective
electrocatalyst
OER
was
reported.
Density
functional
theory
calculations
demonstrate
that
enhancement
ascribed
heterogeneous
atom
doping
and
self-supported
electrode
consisting
heterostructures,
which
reduce
band
center
Fe
d
orbit
narrow
gap
ferrite.
The
CoFe1.7In0.3O4/NiSe2
catalyst
demonstrates
remarkably
low
overpotentials
335
mV
achieve
densities
500
mA
cm–2
(η500)
oxygen
evolution
reaction,
while
maintaining
complete
stability
over
100-h
chronocurrent
measurement
cm–2.
In
addition,
also
excellent
reaction
superior
durability.
This
strategy
can
extended
other
spinel
oxides
stable
density.
