Harvesting Friction Energy on Zinc Oxide and Zinc Oxide/Europium Oxide Sol-Gel Catalysts for Tribocatalytic Paracetamol Degradation
Molecules,
Год журнала:
2025,
Номер
30(11), С. 2265 - 2265
Опубликована: Май 22, 2025
In
the
natural
environment,
mechanical
energy
is
widely
available
as
a
sustainable
and
green
source.
this
paper,
we
successfully
convert
on
ZnO
ZnO/Eu2O3
tribocatalysts
via
friction
route.
Electrons
were
transferred
across
contact
interface
when
catalyst
particles
polytetrafluoroethylene
(PTFE)-sealed
magnetic
bar
rubbed
against
each
other
under
stirring.
At
same
time,
holes
left
while
PTFE
absorbed
electrons.
Similar
to
photocatalysis,
organic
pollutants
can
be
effectively
oxidized
by
in
valence
band
of
sol-gel
catalysts
due
their
strong
oxidative
ability.
The
tribocatalytic
tests
demonstrated
that
could
eliminate
analgesics
(paracetamol)
stirring
dark.
By
controlling
quantity
rare
earth
elements
(1,
2,
3
mol%),
speed,
number
rods,
further
enhance
performance.
addition
developing
tribocatalysis
approach
for
purification
pollutants,
work
offers
potential
route
converting
environmental
into
chemical
energy,
which
used
remediation.
Язык: Английский
Density Functional Theory Insight in Photocatalytic Degradation of Dichlorvos Using Covalent Triazine Frameworks Modified by Various Oxygen-Containing Acid Groups
Toxics,
Год журнала:
2024,
Номер
12(12), С. 928 - 928
Опубликована: Дек. 21, 2024
Dichlorvos
(2,2-dichlorovinyl
dimethyl
phosphate,
DDVP)
is
a
highly
toxic
organophosphorus
insecticide,
and
its
persistence
in
air,
water,
soil
poses
potential
threats
to
human
health
ecosystems.
Covalent
triazine
frameworks
(CTFs),
with
their
sufficient
visible-light
harvesting
capacity,
ameliorated
charge
separation,
exceptional
redox
ability,
have
emerged
as
promising
candidates
for
the
photocatalytic
degradation
of
DDVP.
Nevertheless,
pure
CTFs
lack
effective
oxidative
active
sites,
resulting
elevated
reaction
energy
barriers
during
photodegradation
In
this
work,
density
functional
theory
(DFT)
calculations
were
employed
investigate
impact
various
oxygen-containing
acid
groups
(-COOH,
-HSO3,
-H2PO3)
on
DDVP
performance.
First,
simulations
structure
optical
properties
modified
reveal
that
induce
surface
distortion
result
redshift
absorption
edge.
Subsequently,
analysis
states,
frontier
molecular
orbitals,
electrostatic
potential,
work
function,
dipole
moment
demonstrates
enhance
CTF
polarization,
facilitate
ameliorate
capability.
Additionally,
free-energy
diagram
uncovers
lower
barrier
by
elevating
adsorption
activation
capability
Notably,
-H2PO3
presents
optimal
unique
electronic
This
offers
valuable
reference
development
CTF-based
photocatalysts
applied
degrading
organophosphate
pesticides.
Язык: Английский
Spin-Steered Photosynthesis of H2O2 in Magnetic Single-Atom Modified Covalent Triazine Frameworks: A Density Functional Theory Study
Molecules,
Год журнала:
2024,
Номер
29(8), С. 1840 - 1840
Опубликована: Апрель 18, 2024
Covalent
Organic
Frameworks
(COFs)
demonstrate
promising
potential
in
the
photocatalytic
synthesis
of
H
Язык: Английский