Nanomaterials,
Год журнала:
2024,
Номер
14(3), С. 271 - 271
Опубликована: Янв. 26, 2024
We
report
on
DFT-TDDFT
studies
of
the
structural,
electronic
and
vibrational
properties
B24N24
nanocapsules
effect
encapsulation
homonuclear
diatomic
halogens
(Cl2,
Br2
I2)
chalcogens
(S2
Se2)
interaction
with
divalent
magnesium
cation.
In
particular,
to
foretell
whether
these
BN
nanostructures
could
be
proper
negative
electrodes
for
magnesium-ion
batteries,
properties,
as
well
energy
cell
voltage,
which
is
important
applications,
have
been
computed
each
system,
highlighting
their
differences
similarities.
The
halogen
chalcogen
molecules
increases
an
enhanced
down
groups
16
17
periodic
table,
leading
better
performing
anodes
fulfilling
a
remarkable
voltage
3.61
V
iodine-encapsulated
system.
Advanced Energy Materials,
Год журнала:
2023,
Номер
14(6)
Опубликована: Дек. 28, 2023
Abstract
The
cycle
stability
of
manganese‐based
oxides
cathode
for
sodium‐ion
supercapacitor
is
impeded
by
severe
structural
collapse
due
to
the
Jahn–Teller
(J–T)
distortion
[MnO
6
]
octahedra
as
Mn
4+
reduced
3+
.
Herein,
MnO
2
stabilized
Mg
2+
ions
confinement
between
transition
metal
slabs.
induces
transformation
from
original
cubic
compressed
configuration
(com‐MnO
),
resulting
in
elimination
3d
orbital
degeneracy,
thereby
alleviating
deformation
[Mn
O
suppressing
J–T
during
reduction
As
a
result,
prepared
com‐MnO
exhibits
greatly
improved
cycling
with
99.1%
retention
its
initial
capacity
after
20
000
cycles
inhibited
distortion.
Additionally,
an
enhanced
434
F
g
−1
at
1
A
,
rate
275
can
be
achieved
situ
XRD,
Raman
spectra
reveal
reversible
cycle.
It
concluded
that
degeneracy
plays
crucial
role
distortion,
which
conducive
in‐depth
understanding
electron
structure
toward
performance.
Nano-Micro Letters,
Год журнала:
2024,
Номер
17(1)
Опубликована: Сен. 27, 2024
Abstract
High-entropy
materials
represent
a
new
category
of
high-performance
materials,
first
proposed
in
2004
and
extensively
investigated
by
researchers
over
the
past
two
decades.
The
definition
high-entropy
has
continuously
evolved.
In
last
ten
years,
discovery
an
increasing
number
led
to
significant
advancements
their
utilization
energy
storage,
electrocatalysis,
related
domains,
accompanied
rise
techniques
for
fabricating
electrode
materials.
Recently,
research
emphasis
shifted
from
solely
improving
performance
toward
exploring
reaction
mechanisms
adopting
cleaner
preparation
approaches.
However,
current
remains
relatively
vague,
method
is
based
on
single
metal/low-
or
medium-entropy
It
should
be
noted
that
not
all
methods
applicable
can
directly
applied
this
review,
development
are
briefly
reviewed.
Subsequently,
classification
presented,
followed
discussion
applications
storage
catalysis
perspective
synthesis
methods.
Finally,
evaluation
advantages
disadvantages
various
production
process
different
provided,
along
with
proposal
potential
future
directions
