Weyl
semimetals,
classified
as
solid-state
crystals
and
whose
Fermi
energy
is
accurately
situated
at
points
(WPs),
have
received
much
attention
in
condensed
matter
physics
over
the
past
10
years.
quasiparticles
been
observed
electronic
bosonic
regimes,
addition
to
extensive
amount
of
theoretical
numerical
predictions
for
semimetals.
This
study
demonstrates
that
12
single
phonons
with
linear
dispersion
six
double
quadratic
coexist
between
two
specific
phonon
branches
real
material
P4
3
32
BaSi
2
.
The
can
form
a
complex
phonon,
which
hosts
zero
net
chirality.
The
emerging
field
of
topological
catalysis
has
received
significant
attention
due
to
its
potential
for
high‐performance
catalytic
activity
in
the
hydrogen‐evolution
reaction
(HER).
While
materials
often
possess
fragile
surface
states,
trivial
not
only
offer
a
larger
pool
candidates
but
also
demonstrate
robust
states.
As
result,
search
catalysts
expanded
include
schemes.
In
this
study,
novel
2D
Janus
monolayer,
MoSMg,
which
demonstrates
exceptional
obstructed
atomic
insulating
behavior,
is
presented.
Crucially,
metallic
state
exhibits
clean
leading
enhancement
performance
HER
electrochemical
processes,
particularly
under
high
hydrogen
coverage.
Moreover,
edge
sites
MoSMg
monolayer
exhibit
even
more
superior
activity,
characterized
by
near‐zero
Gibbs
free
energies.
these
findings,
way
paved
exploring
new
avenues
design
quantum
electrocatalysts,
especially
within
realm
materials.
Journal of Materials Chemistry A,
Год журнала:
2023,
Номер
11(44), С. 24089 - 24098
Опубликована: Янв. 1, 2023
Topological
insulator
Bi
2
Se
3
with
a
unique
cloud-like
hollow
structure
was
synthesized
and
employed
as
separator
modifier
for
lithium–sulfur
batteries,
which
can
significantly
accelerate
sulfur
conversion
kinetics
mitigate
the
shuttle
effect.
It
is
well
known
that
magnetic
field
one
of
the
effective
tools
to
improve
activity
hydrogen
evolution
reaction
(HER),
but
considering
inconvenient
application
an
external
field,
it
essential
find
a
ferromagnetic
material
with
high
HER
itself.
Fortunately,
recent
study
has
shown
two-dimmention
(2D)
Fe
The Journal of Physical Chemistry Letters,
Год журнала:
2024,
Номер
15(10), С. 2732 - 2739
Опубликована: Март 4, 2024
Nontrivial
surface
states
in
topological
materials
have
emerged
as
exciting
targets
for
chemistry
research.
In
particular,
insulators
been
used
electrodes
electrocatalytic
reactions.
Herein,
we
investigate
the
robustness
of
and
band
topology
under
electrochemical
conditions,
specifically
presence
an
electric
double
layer.
First-principles
structure
calculations
are
performed
on
electrified
(111)
surfaces
Bi2Te3,
Bi2Se3,
Sb2Te3
using
implicit
electrolyte
model.
Our
results
demonstrate
adiabatic
evolution
upon
charging.
Under
oxidizing
potentials,
shifted
upward
energy,
preserving
Dirac
point
inversion
bulk.
Conversely,
reduced
hybridization
is
observed
between
bulk
states,
suggesting
a
likely
breakdown
protection.
The
position
Fermi
level,
which
dictates
working
catalytic
reactions,
should
ideally
be
confined
within
bandgap.
This
requirement
defines
potential
window
effective
application
electrocatalysis.
Abstract
Recently,
the
emergence
of
topological
electride
catalysts
has
attracted
significant
attention
in
fields
condensed
matter
physics,
chemistry,
and
materials
science.
In
this
study,
we
found
that
Hf
2
Se
exhibits
various
types
quantum
states
under
constraint
symmetric
operations,
particularly
Weyl
point
(WP)
located
at
K
valley.
The
WP
is
closely
aligned
with
Fermi
level
generates
an
extensive
arc
surface
state
on
(001)
surface.
addition,
a
lower
work
function
Remarkably,
extremely
high
stability
both
air
water
environments.
catalytic
activity
for
hydrogen
evolution
reaction
(HER)
was
significantly
improved
by
utilizing
its
robust
low
function.
Therefore,
provide
new
insight
into
application
electrides
HER.
Nontrivial
surface
states
in
topological
materials
have
emerged
as
exciting
targets
for
chemistry
research.
In
particular,
insulators
been
utilized
electrodes
electrocatalytic
reactions.
Herein,
we
investigate
the
robustness
of
and
band
topology
under
electrochemical
conditions,
specifically
presence
an
electric
double
layer.
First-principles
structure
calculations
are
performed
on
electrified
(001)
surfaces
Bi2Te3,
Bi2Se3,
Sb2Te3
using
implicit
electrolyte
model.
Our
results
demonstrate
adiabatic
evolution
upon
charging.
Under
oxidizing
potentials,
shifted
upward
energy,
preserving
Dirac
point
inversion
bulk.
Conversely,
reducing
hybridization
is
observed
between
bulk
states,
suggesting
a
likely
breakdown
protection.
The
position
Fermi
level,
which
dictates
working
catalytic
reactions,
should
ideally
be
confined
within
bandgap.
This
requirement
defines
potential
window
effective
application
electrocatalysis.
Nontrivial
surface
states
in
topological
materials
have
emerged
as
exciting
targets
for
chemistry
research.
In
particular,
insulators
been
utilized
electrodes
electrocatalytic
reactions.
Herein,
we
investigate
the
robustness
of
and
band
topology
under
electrochemical
conditions,
specifically
presence
an
electric
double
layer.
First-principles
structure
calculations
are
performed
on
electrified
(001)
surfaces
Bi2Te3,
Bi2Se3,
Sb2Te3
using
implicit
electrolyte
model.
Our
results
demonstrate
adiabatic
evolution
upon
charging.
Under
oxidizing
potentials,
shifted
upward
energy,
preserving
Dirac
point
inversion
bulk.
Conversely,
reducing
hybridization
is
observed
between
bulk
states,
suggesting
a
likely
breakdown
protection.
The
position
Fermi
level,
which
dictates
working
catalytic
reactions,
should
ideally
be
confined
within
bandgap.
This
requirement
defines
potential
window
effective
application
electrocatalysis.
Topological
materials
are
currently
considered
excellent
catalysts
for
heterogeneous
processes
because
of
their
surface
metallic
states
and
carrier
mobility.
This
work
will
show
that
cubic
palladium
bronze
LaPd
3
S
4
is
an
ideal
topological
material
with
multifold
fermions,
Fermi
arcs
on
the
(001)
surface,
high
catalytic
performance
electrochemical
hydrogen
evolution
reactions
(HER).
A
direct
correlation
has
been
discovered
between
position
fermions
(related
to
level)
Gibbs
free
energy
(Δ
G
H*
).
Moreover,
by
applying
vertical
electric
field
uniaxial
strain
,
disappear,
|Δ
|
increases,
weakening
HER
activity.
establishes
a
clear
connection
increased
fully
elucidates
underlying
process
in
catalysis.
