Journal of Physics Condensed Matter,
Journal Year:
2024,
Volume and Issue:
36(32), P. 325901 - 325901
Published: April 30, 2024
Abstract
We
investigate
phonon
thermal
transport
of
fullerene-based
single-molecule
junctions
by
employing
classical
molecular
dynamics
(MD)
simulations.
compute
the
conductances
C
60
fullerene
monomers,
dimers,
and
trimers
utilizing
three
distinct
MD
methods.
observe
equilibration
in
one
approach,
employ
two
other
nonequilibrium
steady
state
simulation
discuss
technical
aspects
each
technique,
show
that
their
predictions
for
conductance
agree.
Our
simulations
reveal
while
monomer
dimer
remains
similar,
trimer
experiences
a
significant
reduction.
This
study
could
assist
design
high-performing
thermoelectric
junctions,
where
low
is
desired.
Small,
Journal Year:
2024,
Volume and Issue:
20(30)
Published: March 4, 2024
Abstract
Despite
the
considerable
significance
of
utilizing
ultra‐thin
film
(utf)
hydrogels
as
multipurpose
platforms
for
biomedical
applications,
there
is
still
an
important
lack
adequate
characterization
techniques
suitable
such
materials.
In
this
Perspective,
use
quartz
crystal
microbalance
with
dissipation
(QCM‐D)
coupled
spectral
ellipsometry
(SE)
presented
a
potential
tool
complete
utf‐hydrogels
due
to
its
nanometric
sensitivity
and
high
versatility.
Herein,
fundaments
utf‐hydrogel
are
settled
down
far
QCM‐D/SE
response
explored
under
wide
range
different
in
operando
wet
working
conditions
measurements
temperature
or
liquid
media,
among
others.
Therefore,
design
measuring
protocols
capable
perform
proposed
compiled,
first
time,
precise
cross‐link
density,
thickness
variations
(swelling
ratio
determination),
stability
analyses,
mechanical
studies
(including
simultaneous
generation
stress‐strain
curves
evaluation
viscoelastic;
leading
final
determination
Poisson's
ratio)
conditions.
Finally,
future
challenges
implications
general
soft‐thin
films
discussed.
Energy & Environmental Science,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Dec. 19, 2024
A
defect-mediated
integration
strategy
is
proposed
for
the
in-plane
confinement
of
metal-containing
complex
over
carbon
support
via
a
microwave-induced
thermal
microenvironment,
which
endows
catalyst
with
excellent
electrocatalytic
activity.
Recently,
the
thermal
energy
carried
by
surface
waves
along
boundaries
of
a
thin
film
has
drawn
much
attention.
This
work
reports
measured
plasmon
conductivity
novel
metal
films
on
glass
substrate
with
Ti
adhesive
layer.
When
considering
size
effect
permittivity,
decrease
approximately
30%
in
is
observed.
The
authors
demonstrate
that
Au
and
Ag
can
reach
about
20%
their
electron
contribution.
The Journal of Physical Chemistry Letters,
Journal Year:
2023,
Volume and Issue:
14(51), P. 11673 - 11683
Published: Dec. 18, 2023
In
this
work,
the
energy-conserving
and
thermally
corrected
neglect
of
back-reaction
approximation
approach
for
nonadiabatic
molecular
dynamics
in
extended
atomistic
systems
is
developed.
The
new
introduces
three
key
corrections
to
original
method:
(1)
it
enforces
total
energy
conservation,
(2)
an
explicit
coupling
system
its
environment,
(3)
a
renormalization
couplings
account
difference
between
instantaneous
nuclear
kinetic
guiding
trajectories.
approach,
auxiliary
variable
introduced
as
independent
dynamical
variable.
produces
nonzero
equilibrium
populations,
whereas
method
does
not.
It
yields
population
relaxation
time
scales
that
are
favorably
comparable
reference
values,
controllable
way
dissipating
into
bath
without
assumption
being
at
equilibrium.
Materials,
Journal Year:
2023,
Volume and Issue:
16(23), P. 7450 - 7450
Published: Nov. 30, 2023
The
precise
control
and
understanding
of
heat
flow
in
heterostructures
is
pivotal
for
advancements
thermoelectric
energy
conversion,
thermal
barrier
coatings,
efficient
management
electronic
optoelectronic
devices.
In
this
study,
we
employ
high-angular-resolution
time-resolved
X-ray
diffraction
to
structurally
measure
resistance
a
laser-excited
AlGaAs/GaAs
semiconductor
heterostructure.
Our
methodology
offers
femtometer-scale
spatial
sensitivity
nanosecond
time
resolution,
enabling
us
directly
observe
transport
across
buried
interface.
We
corroborate
established
Thermal
Boundary
Resistance
(TBR)
values
demonstrate
that
TBR
arises
from
material
property
discrepancies
on
either
side
nearly
flawless
atomic
This
work
not
only
sheds
light
the
fundamental
mechanisms
governing
interfaces
but
also
presents
robust
experimental
framework
can
be
extended
other
heterostructure
systems,
paving
way
optimized
next-generation
The Journal of Physical Chemistry Letters,
Journal Year:
2023,
Volume and Issue:
14(50), P. 11457 - 11464
Published: Dec. 12, 2023
Thermal
conductance
across
a
solid–solid
interface
requires
an
atomic-
or
molecular-level
understanding,
especially
when
system
is
in
non-equilibrium
state
and/or
consists
of
nanosized
materials
with
prominent
differences
structures,
properties,
and
vibrational
behaviors.
Here,
we
report
the
lattice
dynamics
graphite-supported
molecular
thin
films
ethanol,
whose
layers
exhibit
in-plane
hydrogen-bonded
chains
out-of-plane
van
der
Waals
stacking
clear
structural
anisotropy.
The
direct
structure-probing
method
ultrafast
electron
diffraction
reveals
surprising
temperature
difference
more
than
400
K
at
pico-
to
sub-nanosecond
times
graphite–ethanol
interface,
yet
temporal
behavior
signifies
reasonably
large
thermal
boundary
conductance.
This
apparent
conflict
condition
can
be
resolved
by
considering
coupling
motions,
instead
commonly
used
temperature-based
model,
transient
for
energy
transport
separated
interactions
mismatched
unit
sizes
no
strong
bonds.
importance
spatiotemporally
atomic
level
emphasized.
