Applications of machine learning in surfaces and interfaces
Chemical Physics Reviews,
Journal Year:
2025,
Volume and Issue:
6(1)
Published: March 1, 2025
Surfaces
and
interfaces
play
key
roles
in
chemical
material
science.
Understanding
physical
processes
at
complex
surfaces
is
a
challenging
task.
Machine
learning
provides
powerful
tool
to
help
analyze
accelerate
simulations.
This
comprehensive
review
affords
an
overview
of
the
applications
machine
study
systems
materials.
We
categorize
into
following
broad
categories:
solid–solid
interface,
solid–liquid
liquid–liquid
surface
solid,
liquid,
three-phase
interfaces.
High-throughput
screening,
combined
first-principles
calculations,
force
field
accelerated
molecular
dynamics
simulations
are
used
rational
design
such
as
all-solid-state
batteries,
solar
cells,
heterogeneous
catalysis.
detailed
information
on
for
Language: Английский
Photoelectrochemical Ethylene Glycol Oxidization Coupled with Hydrogen Generation Using Metal Oxide Photoelectrodes
Fusong Kang,
No information about this author
Qingjie Wang,
No information about this author
Dongfeng Du
No information about this author
et al.
Angewandte Chemie International Edition,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Oct. 7, 2024
Photoelectrochemical
(PEC)
water
splitting
represents
a
promising
approach
for
harnessing
solar
energy
and
transforming
it
into
storable
hydrogen.
However,
the
complicated
4-electron
transfer
process
of
oxidation
reaction
imposes
kinetic
limitations
on
overall
efficiency.
Herein,
we
proposed
strategy
by
substituting
with
ethylene
glycol
(EG),
which
is
hydrolysis
byproduct
polyethylene
terephthalate
(PET)
plastic
waste.
To
achieve
this,
developed
synthesized
BiVO
Language: Английский
Photoelectrochemical Ethylene Glycol Oxidization Coupled with Hydrogen Generation Using Metal Oxide Photoelectrodes
Fusong Kang,
No information about this author
Qingjie Wang,
No information about this author
Dongfeng Du
No information about this author
et al.
Angewandte Chemie,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Oct. 7, 2024
Abstract
Photoelectrochemical
(PEC)
water
splitting
represents
a
promising
approach
for
harnessing
solar
energy
and
transforming
it
into
storable
hydrogen.
However,
the
complicated
4‐electron
transfer
process
of
oxidation
reaction
imposes
kinetic
limitations
on
overall
efficiency.
Herein,
we
proposed
strategy
by
substituting
with
ethylene
glycol
(EG),
which
is
hydrolysis
byproduct
polyethylene
terephthalate
(PET)
plastic
waste.
To
achieve
this,
developed
synthesized
BiVO
4
/NiCo‐LDH
photoanodes
capable
achieving
high
Faradaic
efficiency
(FE)
exceeding
85
%
EG
to
formate
in
strongly
alkaline
environment.
The
mechanism
was
further
elucidated
using
situ
FTIR
spectroscopy.
Additionally,
successfully
constructed
an
unassisted
PEC
device
hydrogen
generation
pairing
translucent
Mo
:
photoanode
state‐of‐the‐art
Cu
2
O
photocathode,
resulting
approximate
photocurrent
density
2.3
mA/cm
.
Our
research
not
only
offers
pathway
converting
PET
plastics
valuable
chemicals
but
also
enables
simultaneous
production.
Language: Английский
Cobalt-Doped Magnetite Overlayer on Mo-Doped BiVO4 Photoanode for Efficient Photoelectrochemical Water Oxidation
ACS Materials Letters,
Journal Year:
2024,
Volume and Issue:
6(9), P. 4168 - 4174
Published: Aug. 15, 2024
BiVO4
has
garnered
considerable
interest
as
a
viable
photoanode
material
for
photoelectrochemical
(PEC)
water
oxidation
owing
to
its
favorable
bandgap
and
suitable
band
edge
position.
However,
the
PEC
oxygen
evolution
property
of
pristine
seriously
suffers
from
poor
surface
kinetics
rapid
charge
recombination.
In
this
study,
we
demonstrate
combination
element
doping
heterostructure
construction
strategy,
where
Co-doped
Fe3O4
(Co:Fe3O4)
layer
is
decorated
on
Mo
doped
(BVO),
which
results
in
optimized
transfer
efficiency,
transport
boosted
reaction
(OER)
active
sites
Co:Fe3O4/BVO
photoanode.
Consequently,
achieves
1.9-fold
better
performance
at
1.23
VRHE
under
1
sun
illumination,
compared
BVO.
Furthermore,
two-electrode
system
constructed
by
Pt
wire
shows
high
O2
rate
28.83
μmol
cm–2
h–1
with
Faradaic
efficiency
over
85%.
Language: Английский
A WO3–CuCrO2 Tandem Photoelectrochemical Cell for Green Hydrogen Production under Simulated Sunlight
Ana Korina Díaz-García,
No information about this author
Roberto Gómez
No information about this author
Molecules,
Journal Year:
2024,
Volume and Issue:
29(18), P. 4462 - 4462
Published: Sept. 20, 2024
The
development
of
photoelectrochemical
tandem
cells
for
water
splitting
with
electrodes
entirely
based
on
metal
oxides
is
hindered
by
the
scarcity
stable
p-type
and
poor
stability
in
strongly
alkaline
and,
particularly,
acidic
electrolytes.
As
a
novelty
context
transition
oxide
photoelectrochemistry,
bias-free
cell
driven
simulated
sunlight
CuCrO
Language: Английский