eScience,
Journal Year:
2023,
Volume and Issue:
4(3), P. 100204 - 100204
Published: Oct. 16, 2023
This
study
investigates
the
effect
of
defect
engineering
on
catalytic
activity
a
NiPS3
monolayer
catalyst
for
hydrogen
evolution
reaction
(HER).
Three
different
types
vacancies
basal
plane
are
explored
through
multi-step
mechanism
involving
dissociative
adsorption
water
molecule
and
subsequent
electrochemical
dissociated
proton.
Co-formation
in
both
Ni
S
sites
is
found
to
be
most
effective
enhancing
performance
monolayer.
A
key
resource
thermodynamics
S-substitution-like
physisorption
vacant
site,
followed
by
occupation
OH
H
into
elements,
boosted
NiS
di-vacancy
configuration
with
low
activation
energy
barriers.
Investigation
reveals
highest
contribution
bonding
orbitals
monolayer-H
bond
makes
it
desirable
approach
transition
metal
phosphorus
chalcogenides
high
HER
activities.
Overall,
this
highlights
significance
controlled
augmenting
catalysts
HER.
Advanced Functional Materials,
Journal Year:
2023,
Volume and Issue:
33(43)
Published: June 27, 2023
Abstract
Rationally
constructing
and
manipulating
the
in
situ
formed
catalytically
active
surface
of
catalysts
remains
a
tremendous
challenge
for
highly
efficient
water
electrolysis.
Herein,
an
anion
cation
co‐induced
strategy
is
presented
to
modulate
catalyst
dissolution‐redeposition
achieve
directional
reconstruction
Zn
S
co‐doped
Fe
2
O
3
4
on
iron
foams
(Zn,S‐Fe
‐Fe
/IF),
oxygen
evolution
reaction
(OER).
Benefiting
from
Zn,
co‐doping
presence
,
directionally
reconstructed
obtained.
The
Zn,S‐Fe
/IF
into
FeOOH
‐FeOOH/IF),
which
leaching
promotes
dissolution
co‐deposition
regulates
activity
obtained
FeOOH.
Moreover,
provides
stable
site
deposition,
thus
causes
more
components
be
formed.
Directionally
‐FeOOH/IF
outperformes
many
state‐of‐the‐art
OER
demonstrates
remarkable
stability.
experimental
density
functional
theory
(DFT)
calculation
results
show
that
introduction
Zn‐doped
with
abundant
vacancies
through
has
activated
lattice
atoms,
facilitating
process
heterojunction
following
mechanism
(LOM)
pathway.
This
work
makes
stride
modulating
reconstruction.
Nature Communications,
Journal Year:
2023,
Volume and Issue:
14(1)
Published: Nov. 29, 2023
The
thriving
field
of
atomic
defect
engineering
towards
advanced
electrocatalysis
relies
on
the
critical
role
electric
polarization
at
scale.
While
this
is
proposed
theoretically,
spatial
configuration,
orientation,
and
correlation
with
specific
catalytic
properties
materials
are
yet
to
be
understood.
Here,
by
targeting
monolayer
MoS2
rich
in
defects,
we
pioneer
direct
visualization
such
defects
combining
electron
microscopy
differential
phase
contrast
technology.
It
revealed
that
asymmetric
charge
distribution
caused
facilitates
adsorption
H*,
which
originally
activates
sites
for
hydrogen
evolution
reaction
(HER).
Then,
it
has
been
experimentally
proven
atomic-level
fields
can
enhance
HER
activity.
This
work
bridges
long-existing
gap
between
directly
revealing
angstrom-scale
correlating
as-tuned
materials;
methodology
here
could
also
inspire
future
studies
focusing
mechanism
understanding
structure-property-performance
relationship.
Small Science,
Journal Year:
2023,
Volume and Issue:
3(9)
Published: Aug. 2, 2023
Developing
energy
production,
storage,
and
conversion
technologies
based
on
sustainable
or
renewable
is
essential
to
address
the
environmental
crisis.
Electrochemical
water
splitting
one
of
most
promising
approaches
realize
production
green
hydrogen.
The
design
catalytic
materials
with
low
cost,
high
activity,
long‐term
stability
exploration
specific
reaction
mechanisms
are
key
focus
for
involved
electrochemical
hydrogen
evolution
(HER).
Recently,
substantial
efforts
have
been
devoted
rational
synthesis
non‐noble
metallic
heterostructures
fascinating
synergistic
effects
among
different
components.
These
heterostructured
demonstrate
comprehensive
properties
exceeding
estimations
by
rule
mixtures
display
activity
in
industrial
conditions
HER.
Herein,
mechanism
parameters
improving
performance
HER
process
discussed
detail.
latest
advances
synthetic
methods
electrocatalytic
characteristics
from
experimental
computational
perspectives
summarized
according
role
various
insights
provided
this
review
into
an
in‐depth
understanding
as
electrocatalysts,
opportunities
challenges
scale
up
future‐oriented
developments
highlighted.
Nature Communications,
Journal Year:
2023,
Volume and Issue:
14(1)
Published: Oct. 13, 2023
Surface
amorphization
provides
electrocatalysts
with
more
active
sites
and
flexibility.
However,
there
is
still
a
lack
of
experimental
observations
mechanistic
explanations
for
the
in
situ
process
its
crucial
role.
Herein,
we
propose
concept
that
by
reconstructed
amorphous
surface,
metal
phosphorus
trichalcogenides
could
intrinsically
offer
better
catalytic
performance
alkaline
hydrogen
production.
Trace
Ru
(0.81
wt.%)
doped
into
NiPS3
nanosheets
Using
electrochemical
transmission
electron
microscopy
technique,
confirmed
occurred
on
edges
critical
achieving
superior
activity.
Comprehensive
characterizations
theoretical
calculations
reveal
primarily
stabilized
at
through
formed
layer
containing
bridging
S22-
species,
which
can
effectively
reduce
reaction
energy
barrier.
This
work
emphasizes
role
suggests
potential
optimizing
activities
electrocatalysts.
eScience,
Journal Year:
2023,
Volume and Issue:
4(3), P. 100204 - 100204
Published: Oct. 16, 2023
This
study
investigates
the
effect
of
defect
engineering
on
catalytic
activity
a
NiPS3
monolayer
catalyst
for
hydrogen
evolution
reaction
(HER).
Three
different
types
vacancies
basal
plane
are
explored
through
multi-step
mechanism
involving
dissociative
adsorption
water
molecule
and
subsequent
electrochemical
dissociated
proton.
Co-formation
in
both
Ni
S
sites
is
found
to
be
most
effective
enhancing
performance
monolayer.
A
key
resource
thermodynamics
S-substitution-like
physisorption
vacant
site,
followed
by
occupation
OH
H
into
elements,
boosted
NiS
di-vacancy
configuration
with
low
activation
energy
barriers.
Investigation
reveals
highest
contribution
bonding
orbitals
monolayer-H
bond
makes
it
desirable
approach
transition
metal
phosphorus
chalcogenides
high
HER
activities.
Overall,
this
highlights
significance
controlled
augmenting
catalysts
HER.