Physica Scripta,
Journal Year:
2024,
Volume and Issue:
100(1), P. 015529 - 015529
Published: Dec. 11, 2024
Abstract
One
of
the
most
important
challenges
facing
countries
is
providing
cheap
energy
and
renewable
sources.
Therefore,
a
smart
alloy
will
be
proposed
for
hydrogen
storage
due
to
its
ability
expand
contract
without
breaking
being
little
affected
by
heat.
In
this
investigation,
first
performance
principle
applied
examine
effect
utility
absorption
in
TiCo
alloy.
The
atoms
absorbed
at
bridge
(TiCoH
3
-B),
face-centered
cubic
)
tetrahedral
interstitial
8
sites
were
studied.
elastic
constants,
enthalpy
formation
energy,
tolerance
factors
show
that
TiCoH
are
stable
alloys
can
formed,
while
-B
not
elastically
stable.
Cohesive
shows
increasing
induced
pressure
reduces
stiffness
,
collapse.
gravimetric
capacity
CoTiH
found
large
enough
suitable
as
storage.
Pugh’s
B/G
ratio,
anisotropy
factor
assume
with
or
classified
ductile
anisotropic
alloy,
except
has
brittle
behavior
up
40
GPa.
bonding
nature
mixture
covalent
(Co–H)
ionic
bond
(CoH
6
–Ti).
contrast,
exhibits
form
Ti–H–Co.
Hydrogen
encourage
electrons
rearrange
into
spin
down
channels
resulting
decrease
overall
magnetic
moment
mechanical,
electronic,
properties
promise
industrial
applications
these
alloys,
such
piezoelectric
storage,
magnetoelectronic
manufacturing.
