physica status solidi (b),
Journal Year:
2024,
Volume and Issue:
unknown
Published: July 27, 2024
Considering
the
synthesis
of
novel
2D
monolayers
such
as
W
8
Se
1
2
,
which
are
ideal
for
nanoelectronics,
in
this
study,
density‐functional
theory
is
utilized
to
examine
M
X
/G
(M
=
Mo,
W;
S,
Se)
van
der
Waals
heterostructures
(vdWHs).
Herein,
crucial
role
intrinsic
Ohmic
contacts
and
Schottky
barrier
heights
(SBH)
at
metal/semiconductor
interfaces
these
heterojunctions,
vital
efficient
current
flow
minimal
resistance,
their
impact
on
high‐performance
electronic
bipolar
device
applications
focused
on.
In
findings,
it
revealed
that
forms
an
contact
with
a
75.4%
tunneling
probability,
while
Mo
S
/G,
develop
n‐type
remarkably
low
SBHs
0.110,
0.136,
0.064
eV,
respectively.
The
adaptability
barriers
demonstrated
by
modifying
interlayer
distance
or
applying
electric
field,
leading
transitions
from
p‐type
contacts.
Additionally,
mechanical
strain
influences
type,
offering
valuable
insights
future
nanoelectronic
technologies.
This
comprehensive
analysis
underlines
versatile
behavior
vdWHs,
highlighting
potential
advancing
devices.
Advanced Theory and Simulations,
Journal Year:
2024,
Volume and Issue:
unknown
Published: July 9, 2024
Abstract
Recent
exciting
developments
in
synthesis
and
properties
study
of
the
germanane
(GeH)
mono‐layer
have
inspired
us
to
investigate
structural
electronic
van
der
Waals
heterostructures
(HTS)
GeH/InSe
GeH/In
2
Se
3
through
a
first‐principles
methodology.
In
this
study,
HTS
are
examined
thoroughly.
determined
as
n‐type
Schottky
with
barrier
height
(SBH)
0.40
eV
n
‐type
ohmic,
respectively.
turns
out
semiconductor
direct
bandgap
0.62
eV,
while
is
seen
be
metal.
The
results
show
that
changing
SBH
very
small
values.
For
effects
even
less
substantial,
metallic
or
nature
material
does
not
change.
biaxial
strain
electric
field
more
tangible
on
characteristics
HTS.
A
mixture
compressive
tensile
capability
into
metal
at
same
time
transform
it
an
‐type/
p
ohmic
contact.
given
here
can
guide
future
research
especially
GeH‐based
devices.
Angewandte Chemie International Edition,
Journal Year:
2024,
Volume and Issue:
64(1)
Published: Aug. 20, 2024
Abstract
The
rational
design
of
carbon‐supported
transition
metal
single‐atom
catalysts
necessitates
precise
atomic
positioning
within
the
precursor.
However,
structural
collapse
during
pyrolysis
can
occlude
single
atoms,
posing
significant
challenges
in
controlling
both
their
utilization
and
coordination
environment.
Herein,
we
present
a
surface
atom
adsorption‐flash
heating
(FH)
strategy,
which
ensures
that
pre‐designed
carbon
nanofiber
structure
remains
intact
heating,
preventing
unforeseen
effects
enabling
formation
atoms
nano‐environments
with
either
tetra‐nitrogen
or
penta‐nitrogen
at
different
flash
temperatures.
Theoretical
calculations
situ
Raman
spectroscopy
reveal
coordinated
cobalt
(Co‐N
5
)
promote
lower
energy
pathway
for
oxygen
reduction
evolution
reactions
compared
to
commonly
formed
Co‐N
4
sites.
This
strategy
sites
are
fully
exposed
on
surface,
achieving
exceptionally
high
utilization.
turnover
frequency
(65.33
s
−1
is
47.4
times
higher
than
20
%
Pt/C
under
alkaline
conditions.
porous,
flexible
nanofibers
significantly
enhance
zinc‐air
battery
performance,
peak
power
density
(273.8
mW
cm
−2
),
large
specific
capacity
(784.2
mAh
g
long‐term
cycling
stability
over
600
h.
Additionally,
fiber‐shaped
wearable
devices,
demonstrating
potential
electronics
applications.
Nanoscale,
Journal Year:
2024,
Volume and Issue:
16(36), P. 16744 - 16768
Published: Jan. 1, 2024
The
outstanding
catalytic
properties
of
single-atom
catalysts
(SACs)
stem
from
the
maximum
atom
utilization
and
unique
quantum
size
effects,
leading
to
ever-increasing
research
interest
in
SACs
recent
years.
Ru-based
SACs,
which
have
shown
excellent
activity
selectivity,
been
brought
frontier
field
due
their
lower
cost
compared
with
other
noble
catalysts.
synthetic
approaches
for
preparing
Ru
are
rather
diverse
open
literature,
covering
a
wide
range
applications.
In
this
review
paper,
we
attempt
disclose
developed
most
years,
such
as
defect
engineering,
coordination
design,
ion
exchange,
dipping
method,
electrochemical
deposition
etc.,
discuss
representative
applications
both
organic
reaction
fields,
typical
application
examples
given
of:
Li-CO2
batteries,
N2
reduction,
water
splitting
oxidation
benzyl
alcohols.
mechanisms
behind
enhanced
performance
discussed
structure-property
relationships
revealed
review.
Finally,
future
prospects
remaining
unsolved
issues
also
so
that
roadmap
further
development
is
established.
Advanced Functional Materials,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 17, 2025
Abstract
Rapid
kinetics
and
stable
atom
configuration
of
the
catalysts
are
essential
greatly
sought
after
for
bifunctional
oxygen
reactions
energy
conversion
devices,
but
remain
unsatisfactory.
Herein,
Se
dual
atoms
structure
consisting
periodically
arranged
Se‐P‐Se
configurations
within
graphitic
nitrogen
carbon
framework
(P‐Se
atoms‐NC)
is
constructed
by
P
directionally
mediated
single
deposition
strategy.
The
in
situ/ex
situ
experiments
combining
theoretical
calculations
reveal
that
both
inter‐site
distance
effect
adjacent
NC
Se‐P
binding
endow
P‐Se
atoms‐NC
with
a
ultra‐durable
lifespan,
locally
polarized
electronic
micro‐environment
built
2
p
‐Se
3
d
‐C
orbital
hybridization
electrons
transfer
significantly
promotes
H
O‐O
coupling,
boosts
adsorption/desorption
O‐intermediates
accelerates
electron
transport
kinetics.
Moreover,
could
provide
more
sites
absorption
reactants.
Thus,
as‐prepared
catalyst
exhibits
top‐level
activity
an
ultra‐low
potential
difference
(Δ
E
)
0.58
V
delivers
outstandingly
low‐temperature
specific
capacity
796.41
mAh
g
Zn
−1
lifespan
over
1000
h
assembled
zinc‐air
batteries
at
−40
°C.
