npj 2D Materials and Applications,
Journal Year:
2025,
Volume and Issue:
9(1)
Published: Feb. 1, 2025
MXenes
are
a
versatile
family
of
2D
inorganic
materials
with
applications
in
energy
storage,
shielding,
sensing,
and
catalysis.
This
review
highlights
computational
studies
using
density
functional
theory
machine-learning
approaches
to
explore
their
structure
(stacking,
functionalization,
doping),
properties
(electronic,
mechanical,
magnetic),
application
potential.
Key
advances
challenges
critically
examined,
offering
insights
into
applying
research
transition
these
from
the
lab
practical
use.
Advanced Materials,
Journal Year:
2021,
Volume and Issue:
33(39)
Published: Aug. 16, 2021
Abstract
Since
their
discovery
in
2011,
the
number
of
2D
transition
metal
carbides
and
nitrides
(MXenes)
has
steadily
increased.
Currently
more
than
40
MXene
compositions
exist.
The
ultimate
is
far
greater
time
they
may
develop
into
largest
family
materials
known.
MXenes’
unique
properties,
such
as
metal‐like
electrical
conductivity
reaching
≈20
000
S
cm
−1
,
render
them
quite
useful
a
large
applications,
including
energy
storage,
optoelectronic,
biomedical,
communications,
environmental.
papers
patents
published
been
growing
quickly.
first
generation
synthesized
using
selective
etching
layers
from
MAX
phases,
layered
carbonitrides
hydrofluoric
acid.
then,
multiple
synthesis
approaches
have
developed,
mixture
fluoride
salts
various
acids,
non‐aqueous
etchants,
halogens,
molten
salts,
allowing
for
new
MXenes
with
better
control
over
surface
chemistries.
Herein,
brief
historical
overview
10
years
research
perspective
on
future
development
are
provided.
fact
that
production
readily
scalable
aqueous
environments,
high
yields
bodes
well
commercialization.
Advanced Materials,
Journal Year:
2021,
Volume and Issue:
34(13)
Published: Nov. 24, 2021
Abstract
As
an
emerging
star
of
2D
nanomaterials,
transition
metal
carbides
and
nitrides,
named
MXenes,
present
a
large
potential
in
various
research
areas
owing
to
their
intrinsic
multilayer
structure
intriguing
physico‐chemical
properties.
However,
the
fabrication
application
functional
MXene‐based
devices
still
remain
challenging
as
they
are
prone
oxidative
degradation
under
ambient
environment.
Within
this
review,
preparation
methods
MXenes
focusing
on
recent
investigations
thermal
structure–stability
relationships
inert,
oxidizing,
aqueous
environments
systematically
introduced.
Moreover,
key
factors
that
affect
oxidation
such
as,
atmosphere,
temperature,
composition,
microstructure,
environment,
reviewed.
Based
different
scenarios,
strategies
for
avoiding
or
delaying
proposed
encourage
utilization
complicated
environments,
especially
at
high
temperature.
Furthermore,
chemistry
MXene‐derived
oxides
is
analyzed,
which
can
offer
perspectives
further
design
novel
composites
with
unique
structures
being
preserved.
Advanced Energy Materials,
Journal Year:
2022,
Volume and Issue:
12(12)
Published: Feb. 15, 2022
Abstract
2D
MXenes‐based
nanoarchitectures
are
being
actively
explored
for
electrocatalytic
water
splitting
because
they
possess
physical
and
physiochemical
properties
that
enhance
catalytic
activity
toward
the
hydrogen
evolution
reaction
oxygen
reaction.
This
review
systematically
summarizes
current
strategies
involved
in
defect
engineering,
including
introducing
atomic
vacancies
active
edges,
doping
with
metal
non‐metal
atoms,
which
have
been
employed
to
achieve
high‐efficiency
catalysts.
The
electronic
structures,
optimized
adsorption/desorption
energies
of
intermediates,
possible
mechanisms
resulting
from
various
defects
disclosed
based
on
combined
experimental
results
theoretical
calculations.
Current
challenges
future
opportunities
mechanistic
investigation
practical
application
defective
catalysts
proposed.
report
aims
reveal
nature
MXenes
electrocatalysts
provide
valuable
guidelines
designing
reactions.
Advanced Materials Interfaces,
Journal Year:
2021,
Volume and Issue:
9(3)
Published: Dec. 13, 2021
Abstract
Recent
advances
in
2D
nanomaterials,
such
as
graphene,
transition
metal
dichalcogenides,
boron
nitride,
MXenes,
allow
not
only
to
discover
several
new
nanoscale
phenomena
but
also
address
the
scientific
and
industrial
challenges
associated
with
design
of
systems
desired
physical
properties.
One
great
for
mechanical
is
addressing
friction
wear
problems
machine
elements.
In
this
review,
beneficial
properties
layered
materials
that
enable
control
their
tribological
behavior
make
them
excellent
candidates
efficient
reduction
dry‐running
boundary
lubricated
components
are
summarized.
The
recent
studies
highlighting
successful
implementation
structures
when
used
solid
lubricant
coatings
or
reinforcement
phases
composites
various
including
sliding
rolling
bearings,
gears,
seals
overviewed.
examples
presented
demonstrate
potential
energy‐saving
needs
by
reduction.
Small,
Journal Year:
2021,
Volume and Issue:
17(38)
Published: Aug. 19, 2021
Abstract
2D‐layered
materials
have
attracted
increasing
attention
as
low‐cost
supports
for
developing
active
catalysts
the
hydrogen
evolution
reaction
(HER).
In
addition,
atomically
thin
Ti
3
C
2
T
x
(MXene)
nanosheets
surface
termination
groups
(T
:
F,
O,
and
OH),
which
are
sites
effective
functionalization.
this
work,
heteroatom
(boron)‐doped
developed
an
efficient
solid
support
to
host
ultrasmall
ruthenium
(Ru)
nanoparticles
electrocatalytic
HER.
The
quantum‐mechanical
first‐principles
calculations
electrochemical
tests
reveal
that
B‐doping
onto
2D
MXene
can
largely
improve
intermediate
H*
adsorption
kinetics
reduce
charge‐transfer
resistance
toward
HER,
leading
increased
reactivity
of
favorable
electrode
kinetics.
Importantly,
newly
designed
electrocatalyst
based
on
Ru
supported
B‐doped
(Ru@B–Ti
)
shows
a
remarkable
catalytic
activity
with
low
overpotentials
62.9
276.9
mV
drive
10
100
mA
cm
−2
,
respectively,
while
exhibiting
excellent
cycling
stabilities.
Moreover,
according
theoretical
calculations,
Ru@B–Ti
exhibits
near‐zero
value
Gibbs
free
energy
(Δ
G
=
0.002
eV)
This
work
introduces
facile
strategy
functionalize
use
electrocatalysts.
