Journal of the American Chemical Society,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 15, 2025
We
present
a
comprehensive
theoretical
study,
using
state-of-the-art
density
functional
theory
simulations,
of
the
structural
and
electrochemical
properties
amorphous
pristine
iron-doped
nickel–(oxy)hydroxide
catalyst
films
for
water
oxidation
in
alkaline
solutions,
referred
to
as
NiCat
Fe:NiCat.
Our
simulations
accurately
capture
changes
locally
ordered
units,
reported
by
X-ray
absorption
spectroscopy,
when
are
activated
exposure
positive
potential.
emphasize
critical
role
proton-coupled
electron
transfer
reversible
Ni(II)
Ni(III/IV)
during
this
activation.
After
establishing
models
Fe:NiCat
consistent
with
experimental
data,
we
used
them
explore
atomistic
mechanism
oxygen
evolution
reaction
(OER),
which
is
triggered
once
applied
potential
exceeds
overpotential
required
production.
quantitatively
compared
seven
OER
pathways
applicable
both
adsorbate
(AEM)
lattice-oxygen-mediated
(LOM)
families,
elucidating
how
iron
significantly
enhances
catalytic
activity
NiCat.
findings
suggest
that
simple
metal–oxygen–metal
motifs,
common
on
surface
crystalline
metal
(oxy)hydroxide
films,
can
promote
AEM
LOM
mechanisms
under
typical
conditions.
Furthermore,
propose
elusive
lies
distinct
behavior
Ni(IV)–O
Fe(IV)–O
bonds
key
intermediates
preceding
formation
O–O
bond,
Fe
ions
lowering
needed
form
these
across
investigated
pathways.
The Chemical Record,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 3, 2025
Abstract
Electrocatalysis
is
a
crucial
technology
that
will
enable
future
low‐carbon
chemical
production
and
energy
beyond
fossil
fuels.
Notwithstanding
the
intense
growing
research
in
area,
potentialities
of
field
are
largely
unexplored.
We
provide
case
examples
discuss
emerging
possibilities
have
still
not
been
investigated
enough
but
necessary
to
exploit
this
potential
e‐chemistry.
Starting
from
defining
trends
setting
scene,
as
well
clarifying
difference
between
electrochemistry
electrocatalysis,
some
elements
vision
foster
innovation
discussed.
The
aim
stimulate
discussion
reflection
rather
than
review
state‐of‐the‐art.
Aspects
discussed
regard
i)
passing
electro
photoelectrocatalytic
approaches,
ii)
making
chemicals
air,
iii)
exploitation
both
anodic
cathodic
reactions,
tandem/paired
electrocatalytic
iv)
for
selective
oxidation
mediated
synthesis.
Priorities
strategies
an
e‐chemistry
Intensifying
these
directions
extending
still‐too‐limited
current
including
modelling
design,
effort
accelerate
realisation
distributed
Energies,
Journal Year:
2024,
Volume and Issue:
17(14), P. 3560 - 3560
Published: July 19, 2024
Ecofuels
and
their
feedstock
come
in
three
main
product
classes:
electrofuels
(e-Fuels),
biofuels,
non-biowaste-derived
fuels.
originate
from
non-fossil
sources,
derived
circular
raw
materials
such
as
non-food
organic
waste,
renewable
hydrogen,
captured
CO2
through
a
rapid
process
of
carbon
fixation.
Proposed
regulation
drafts
under
discussion
indicate
that
new
fuels
would
need
to
reach
substantial
degree
climate
neutrality.
The
manufacture
all
ecofuels,
however,
requires
energy
input
accomplish
the
conversion
initial
feedstock;
neutrality
claims
stem
use
electric
and/or
biomasses
production
process,
but
fossil
are
still
primary
sources
global
(and
EU’s)
power,
most
biofuels
consumed
EU
transport
mix
crop-based,
with
potential
conflicts
food
land
use.
Furthermore,
entirely
neglecting
GHG
emissions
generation
is
scientifically
debatable,
impact
related
emissions)
embedded
used
build
facilities
small,
not
nil.
paper
reports
ecofuel
trends
according
above-mentioned
originating
technologies
discusses
issues
development.
