Nanomaterials,
Journal Year:
2024,
Volume and Issue:
14(24), P. 2024 - 2024
Published: Dec. 16, 2024
Nanomaterials,
heralded
as
the
“new
materials
of
21st
century”
for
their
remarkable
physical
and
chemical
properties
broad
application
potential,
have
attracted
substantial
attention
in
recent
years.
Among
these
materials,
which
challenge
traditional
boundaries,
nanodiamonds
(NDs)
are
widely
applied
across
diverse
industries
due
to
exceptional
surface
multifunctionality
stability.
Nevertheless,
atomic-level
manipulation
NDs
presents
considerable
challenges,
require
detailed
structural
analysis
thoroughly
elucidate
properties.
This
study
utilizes
density
functional
theory
(DFT),
lattice
dynamics,
molecular
dynamics
(MD)
simulations
analyze
property
characteristics
NDs.
Fine
reveals
that,
despite
variations
particle
size,
layer
thickness
remains
relatively
constant
at
approximately
3
Å.
DFT
methods
enable
computation
capture
subtle
electronic
characteristics,
while
internal
core
is
analyzed
via
MD.
Further
investigation
into
amorphous
structure
control
indicates
that
ND
structures
with
a
packing
coefficient
above
0.38
thermodynamically
stable.
offers
novel
approach
nanomaterial
practical
applications
by
elucidating
core–shell
interactions
Chemical Science,
Journal Year:
2024,
Volume and Issue:
15(39), P. 16118 - 16124
Published: Jan. 1, 2024
A
stable
Zn
anode
is
realized
by
using
triethanolamine
as
the
electrolyte
additive
to
construct
a
hybrid
SEI
layer
composed
of
static
and
dynamic
layer,
which
effectively
inhibits
dendrite
growth
side
reactions.
Advanced Energy Materials,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Dec. 20, 2024
Abstract
Balancing
interfacial
interactions
is
critical
to
the
reversibility
and
cycle
stability
of
Zn
ion
batteries,
as
severe
chemical
corrosion
undesirable
hydrogen
evolution
reaction
(HER)
are
inevitable
for
anode
in
aqueous
electrolytes
during
charge/discharge
process.
Herein,
a
multi‐functional
copolymeric
solid/electrolyte
interface
(SEI)
layer,
self‐assembling
on
based
click
between
epoxy
silane
thioalcohol,
employed
eliminate
these
side
reactions.
The
dense
robust
SEI
layer
can
not
only
physically
repel
water
from
surface
effectively
inhibit
HER
but
also
facilitate
desolvation
2+
accelerate
kinetic
Additionally,
it
regulate
flux
induce
preferred
plating
with
(002)
crystallographic
orientation,
enabling
dendrite‐free
deposition.
As
result,
stable
long
life
≈200
h
at
depth
discharge
(DoD)
60%
achieved.
Zn||V
2
O
5
full
cell
delivers
high
specific
capacity
165.2
mAh
g
−1
after
600
cycles
an
ultralow
N/P
ratio
(the
negative
electrode
positive
electrode)
2.5.
construction
this
provides
new
pathway
development
practical
batteries.
Nanomaterials,
Journal Year:
2024,
Volume and Issue:
14(24), P. 2024 - 2024
Published: Dec. 16, 2024
Nanomaterials,
heralded
as
the
“new
materials
of
21st
century”
for
their
remarkable
physical
and
chemical
properties
broad
application
potential,
have
attracted
substantial
attention
in
recent
years.
Among
these
materials,
which
challenge
traditional
boundaries,
nanodiamonds
(NDs)
are
widely
applied
across
diverse
industries
due
to
exceptional
surface
multifunctionality
stability.
Nevertheless,
atomic-level
manipulation
NDs
presents
considerable
challenges,
require
detailed
structural
analysis
thoroughly
elucidate
properties.
This
study
utilizes
density
functional
theory
(DFT),
lattice
dynamics,
molecular
dynamics
(MD)
simulations
analyze
property
characteristics
NDs.
Fine
reveals
that,
despite
variations
particle
size,
layer
thickness
remains
relatively
constant
at
approximately
3
Å.
DFT
methods
enable
computation
capture
subtle
electronic
characteristics,
while
internal
core
is
analyzed
via
MD.
Further
investigation
into
amorphous
structure
control
indicates
that
ND
structures
with
a
packing
coefficient
above
0.38
thermodynamically
stable.
offers
novel
approach
nanomaterial
practical
applications
by
elucidating
core–shell
interactions
