Study of the Gravimetric, Electronic and Thermoelectric Properties of XAlH3 (X = Be, Na, K) as hydrogen storage perovskite using DFT and the BoltzTrap Software Package
Ayoub Koufi,
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Younes Ziat,
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Hamza Belkhanchi
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et al.
Solar Energy and Sustainable Development,
Journal Year:
2024,
Volume and Issue:
unknown, P. 53 - 66
Published: Dec. 27, 2024
In
the
context
of
density
functional
theory
(DFT),
this
study
examines
structural,
electronic,
gravimetric
and
thermoelectric
properties
perovskite
compounds
XAlH3
(X
=
Be,
Na
K)
using
generalized
gradient
approximation
(GGA).
Calculations
were
performed
with
BoltzTrap
software
package
integrated
into
Wien2k
code,
enabling
analysis
total
energy
atomic
volume
Murnaghan
equation
state.
The
results
show
that
materials
behave
like
conductors
due
to
overlap
conduction
band
valence
band,
a
zero
gap.
NaAlH3
KAlH3
increasing
electrical
thermal
conductivity
temperature,
while
BeAlH3
exhibits
non-linear
behavior,
peaking
at
400
K.
These
suggest
are
promising
for
hydrogen
storage
applications
devices,
underlining
their
potential
support
sustainable
economy.
Language: Английский
Modulating the electronic and optical properties of InGeF3 perovskite under pressure: a computational approach
Mohammed Miri,
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Younes Ziat,
No information about this author
Hamza Belkhanchi
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et al.
The European Physical Journal B,
Journal Year:
2025,
Volume and Issue:
98(3)
Published: March 1, 2025
Language: Английский
Photovoltaic potential of doped MgTiO3 (F, Br, I): prediction of optoelectronic and catalytic within ab initio approach
Abdellah Bouzaid,
No information about this author
Younes Ziat,
No information about this author
Hamza Belkhanchi
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et al.
Journal of Physics and Chemistry of Solids,
Journal Year:
2025,
Volume and Issue:
unknown, P. 112648 - 112648
Published: Feb. 1, 2025
Language: Английский
Hydrogen, Chronology and Electrochemical Production
Solar Energy and Sustainable Development,
Journal Year:
2024,
Volume and Issue:
unknown, P. 22 - 37
Published: Dec. 27, 2024
Human
gluttony
is
having
a
catastrophic
effect
on
the
environment.
Since
age
of
industry
and
world
wars,
modern
societies
have
hygienically
depleted
most
earth's
resources,
thus
depleting
all
resources
that
will
be
essential
for
future
generations.
The
problem
doesn't
stop
there:
greenhouse
gas
emissions
significantly
increased
temperature,
causing
terrible
damage
to
climate.
production
green
energy
with
no
seems
save
planet.
Green
hydrogen
suitable
promising
way
generate
an
source
produces
H2O
molecules
instead
CO2.
Water
electrolysis
very
important
technique
producing
H2
using
appropriate
electrical
current
generated
by
non-polluting
such
as
wind
turbines.
This
review
presents
historical
technical
overview
element
from
its
discovery
production.
Throughout
this
work,
we
tried
deal
significant
periods.
Language: Английский