Angewandte Chemie,
Journal Year:
2024,
Volume and Issue:
136(41)
Published: July 15, 2024
Abstract
Transition
metal/p‐block
compounds
are
regarded
as
the
most
essential
materials
for
electrochemical
energy
converting
systems
involving
various
electrocatalysis.
Understanding
role
of
p‐block
element
on
interaction
key
intermediates
and
interfacial
water
molecule
orientation
at
polarized
catalyst‐electrolyte
interface
during
electrocatalysis
is
important
rational
designing
advanced
modified
metal
electrocatalysts.
Herein,
taking
a
sequence
ruthenium
phosphides
(including
Ru
2
P,
RuP
)
model
catalysts,
we
establish
volcanic‐relation
between
P‐proportion
alkaline
hydrogen
oxidation
reaction
(HOR)
activity.
The
dominant
P
regulating
hydroxyl
binding
validated
by
active
sites
poisoning
experiments,
pH‐dependent
infection‐point
behavior,
in
situ
surface
enhanced
infrared
absorption
spectroscopy,
density
functional
theory
calculations,
which
could
tailor
d‐band
structure
Ru,
optimize
adsorption
across
Ru−P
moieties,
thereby
leading
to
improved
proportion
strongly
hydrogen‐bonded
facilitated
proton‐coupled
electron
transfer
process,
responsible
HOR
performance.
Nature Communications,
Journal Year:
2025,
Volume and Issue:
16(1)
Published: April 15, 2025
Hematite
photoanodes
are
promising
for
the
oxygen
evolution
reaction,
however,
their
high
overpotential
(0.5-0.6
V)
water
oxidation
and
limited
photocurrent
make
them
economically
unviable
at
present.
The
work
needed
to
orient
dipoles
an
electrode
surface
may
be
overlooked
contribution
overpotential,
especially
regarding
of
water,
electron
source
in
reaction
(OER).
Here,
we
employ
second
harmonic
amplitude
phase
measurements
quantify
number
net-aligned
Stern
layer
molecules
associated
with
flipping,
on
hematite,
earth
abundant
OER
semiconductor
a
overpotential.
At
zero
applied
bias,
pH-dependent
potentials
molecule
flipping
exhibit
Nernstian
behavior.
positive
pH
13,
approximately
one
two
monolayers
points
atoms
towards
electrode,
favorable
OER.
matches
cohesive
energy
liquid
(44
kJ
mol-1)
current
density
is
highest.
This
negligible
5,
where
approaches
100
mol-1.
Our
findings
suggest
causal
relationship
between
need
which
lead
developing
strategies
decreasing
latter.
Journal of the American Chemical Society,
Journal Year:
2025,
Volume and Issue:
unknown
Published: May 9, 2025
Investigating
nucleation
in
charged
nanoconfined
environments
under
electric
fields
is
crucial
for
many
scientific
and
engineering
applications.
Here
we
study
the
of
NaCl
from
aqueous
solution
near
surfaces
using
machine-learning-augmented
enhanced
sampling
molecular
dynamics
simulations.
Our
simulations
successfully
drive
phase
transitions
between
liquid
solid
phases
NaCl.
The
stabilized
fields,
particularly
at
an
intermediate
surface
charge
density.
We
examine
which
physical
characteristics
solutions
find
that
removal
solvent
water
Cl-
precursor
plays
a
more
critical
role
than
accumulation
ions.
reveal
competing
effects
on
processes:
they
facilitate
water,
promoting
nucleation,
but
also
promote
separation
ion
pairs,
thereby
hindering
nucleation.
This
work
provides
framework
studying
processes
insights
design
electrochemistry
materials.
Analytical Chemistry,
Journal Year:
2025,
Volume and Issue:
unknown
Published: May 13, 2025
In
aqueous
electrochemistry,
water
in
contact
with
charged
surfaces
is
ubiquitous
and
indispensable,
dictating
the
binding
of
solutes
to
electrode
as
well
transport
process
protons
electrons
interfacial
region.
A
comprehensive
understanding
structure
dissociation
at
molecular
level
extremely
important
yet
challenging,
given
its
critical
role
various
physical,
chemical,
biological
processes.
situ
vibrational
spectroscopic
techniques
serve
a
powerful
tool
for
acquiring
probing
reaction
mechanisms
real
time.
this
review,
we
briefly
summarize
latest
advances
electric
double
layer
model
experimental
methods
employed
electrode-solution
interface.
Particular
emphasis
placed
on
that
have
unveiled
new
insights
into
across
diverse
under
ambient
conditions.
And
then,
it
also
provides
an
overview
recent
progress
subtle
relationship
between
activity,
aiming
provide
novel
fields
energy
catalysis.
Advanced Functional Materials,
Journal Year:
2025,
Volume and Issue:
unknown
Published: May 15, 2025
Abstract
Atomic‐level
metal
sites
at
the
edges
of
graphene‐like
carbon
supports
are
considered
more
active
for
CO
2
electrocatalysis
than
those
in‐plane.
However,
creating
high‐density
edge‐dominating
sites,
particularly
in
a
simple,
scalable,
and
self‐templated
fashion,
presents
significant
challenge.
Herein,
MOF‐mediated
self‐exfoliation
strategy
is
reported
to
preferentially
integrate
edge‐type
FeN
4
onto
ultrathin
edge‐rich
N‐doped
graphene
nanomesh
(e‐Fe‐NGM).
Theoretical
calculations,
finite
element
method
(FEM)
simulations,
together
with
series
situ
spectro‐electrochemical
experiments
corroborate
that
can
not
only
optimize
electronic
structure
catalysts,
facilitating
formation
*
COOH
desorption
CO,
but
also
effectively
induce
strong
local
electrostatic
field,
promoting
interfacial
H
O
supply
thereby
accelerating
protonation
process
.
Thus‐prepared
e‐Fe‐NGM
delivers
remarkable
Faraday
efficiency
(FE)
above
98%
over
an
ultra‐wide
potential
window
500
mV
high
turnover
frequency
6648
h
−1
,
much
superior
controlled
sample
dominant
plane‐type
sites.
Moreover,
this
self‐exfoliated,
non‐catalyzed
approach
readily
scalable
be
used
produce
large‐size
industrial
levels.
Small,
Journal Year:
2025,
Volume and Issue:
unknown
Published: May 19, 2025
Abstract
Nano‐heterointerface
serves
as
a
catalytic
center
for
water
dissociation
promoted
by
the
concerted
interaction
of
*OH
on
oxide
and
*H
nitride.
Kinetic
energetics
hydroxyl
(de)stabilization
are
vital
to
surface
coverage
reactive
charge
reductive
desorption.
electron
paramagnetic
resonance
spectra
DMPO‐H
DMPO‐OH
unravel
radical
nature
water‐dissociated
*OH.
coherent
synergism
interfacial
ensemble
electronic
effects
realizes
TOF/η−ɛ
d
volcano
net
result
work‐function‐directed
competition
between
(covalent
control)
desorption
(ionic
kinetics,
manifesting
that
alkaline
HER
shaped
d‐band
descriptor
originates
from
intricate
balance
guided
work
function
descriptor.
Orchestrated
with
alkali
metal
cations
fine‐tuning
covalent/ionic
catalyst
water‐derived
intermediates,
microrod‐array
N–MoCoNiAl/NF
electrode
(NF═Ni
foam)
drives
10
mA
cm
−2
at
overpotential
mV
in
1
m
KOH.
The
proposed
pathway
may
provide
insight
into
how
peculiar
structure
multi‐site
heterojunction
hard‐soft
covalent/electrostatic
interactions
impact
molecular‐level
mechanism
efficient
Volmer
kinetics.