In-Depth First-Principles Study of High-Performance M2XO2 MXene Cathode Catalysts for Sodium-Oxygen Batteries
Catalysts,
Год журнала:
2025,
Номер
15(4), С. 311 - 311
Опубликована: Март 25, 2025
Na−O2
batteries
are
plagued
by
high
cathodic
oxygen
reduction
(ORR)/oxygen
evolution
(OER)
overpotentials
during
discharging/charging.
Herein,
we
constructed
six
carbide/nitride
MXenes
(M2XO2,
M
=
Ti,
Zr,
and
Hf,
X
C,
N)
investigated
their
performance
as
cathodes
for
first-principles
calculations.
M2CO2
have
a
pseudogap,
showing
semiconducting
properties,
while
M2NO2
conductive.
The
nucleophilic
O
on
the
M2XO2
surfaces
prefers
to
bind
with
Na
atoms
of
NaxO2
intermediates
activate
Na−O
bonds,
improving
sodium
deintercalation.
For
all
MXenes,
OER
overpotential
is
higher
than
ORR
overpotential,
forming
bottleneck
batteries.
originate
from
too-strong
adsorption
MXenes.
Lowering
p-band
center
can
weaken
adsorption,
thereby
reducing
overpotential.
Consequently,
carbides
lower
those
nitrides
further
decrease
decreasing
atomic
number.
Ti2CO2
MXene
shows
extremely
low
ORR,
OER,
total
(0.23,
0.32,
0.55
V),
suggesting
huge
potential
in
Язык: Английский
First-Principles Investigation into Synergetic Effect of Functional Groups on Enhancing Catalytic Performance of Mxene-Based Single Atom Catalysts Towards Co2rr
Jie Yu,
Yabing Zeng,
Junyao Chen
и другие.
Опубликована: Янв. 1, 2025
Язык: Английский
First-principles investigation into influence of exotic functional groups on enhancing catalytic performance of MXene-based single atom catalysts towards CO2RR
Jie Yu,
Yabing Zeng,
Junyao Chen
и другие.
Journal of Colloid and Interface Science,
Год журнала:
2025,
Номер
697, С. 137961 - 137961
Опубликована: Май 21, 2025
Язык: Английский
Bioinspired Protein‐Mineralized Single‐Atom Nanozymes for Tumor‐Specific Cascade Therapy via Self‐Amplifying Catalytic Synergy
Small,
Год журнала:
2025,
Номер
unknown
Опубликована: Май 28, 2025
Abstract
Single‐atom
catalysts
(SACs)
are
highly
promising
in
biomedical
applications
due
to
their
unmatched
catalytic
activity
and
atomic‐level
precision,
yet
clinical
translation
is
hindered
by
limited
biocompatibility,
instability,
lack
of
tumor
targeting.
Here,
a
universal,
bioinspired
strategy
proposed
construct
flexible,
biocompatible
SACs
leveraging
enzymatic
protein
scaffolds
for
mineralization
single‐atom
platinum
(Pt).
This
protein‐mineralized
platform
enables
the
fabrication
stable
dual‐functional
nanozymes,
exemplified
glucose
oxidase‐coordinated
Pt
(GOx‐Pt),
which
simultaneously
catalyze
oxidation
H₂O₂‐to‐•OH
conversion,
generating
self‐amplifying
cascade
reactive
oxygen
species
(ROS)
production.
To
ensure
specificity,
GOx‐Pt
nanozyme
encapsulated
within
pH‐responsive
zeolitic
imidazolate
framework
(ZIF‐8),
remains
under
physiological
conditions
but
disintegrates
mildly
acidic
environments,
enabling
localized
selective
therapeutic
activation.
synergistic
design
not
only
enhances
antitumor
efficacy
inducing
oxidative
stress
depletion
also
minimizes
systemic
toxicity.
The
resulting
ZIF‐8@GOx‐Pt
system
achieves
robust
stability,
cytotoxicity,
significant
inhibition
(53%)
vivo
without
discernible
side
effects.
work
pioneers
versatile
biomineralization
approach
engineering
SAC‐based
nanozymes
with
dual
tumor‐responsive
functions,
offering
generalizable
next‐generation
precision
cancer
therapeutics.
Язык: Английский