Langmuir,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Feb. 22, 2025
Penta-octagraphene
(POG)
is
a
newly
suggested
two-dimensional
carbon
allotrope
recognized
for
its
distinct
configuration
and
fascinating
electronic
characteristics.
This
work
presents
new
inorganic
counterpart
of
POG,
named
POG-B4C2N3,
designed
through
density
functional
theory
(DFT)
calculations.
structure
exhibits
direct
band
gap
transition
at
the
X-point,
measured
0.32/0.86
eV
with
PBE/HSE
functionals.
Mechanical
properties
were
comprehensively
assessed,
showcasing
Young's
modulus
(Ymax/Ymin
=
157.12/100.84
N/m)
shear
(Gmax/Gmin
83.03/38.09
N/m),
alongside
Poisson's
ratio
(νmax/νmin
0.58/-0.09),
indicating
that
POG-B4C2N3
an
auxetic
material.
Additionally,
Li
decoration
on
this
monolayer
was
studied
to
investigate
potential
enhance
hydrogen
storage
physisorption.
The
Li@POG-B4C2N3
system
shows
robust
physisorption
(adsorption
energies
ranging
from
−0.35
−0.19
eV),
high
capacity
(8.35
wt
%),
effective
desorption
dynamics,
positioning
novel
material
as
promising
platform
reversible
storage.
Biofuels Bioproducts and Biorefining,
Journal Year:
2024,
Volume and Issue:
18(6), P. 2196 - 2210
Published: Oct. 9, 2024
Abstract
Recurring
environmental
challenges
and
the
global
energy
crisis
have
led
to
intensified
research
on
alternative
sources.
Hydrogen
has
emerged
as
a
promising
solution,
produced
through
electrochemical,
thermochemical,
biological
methods.
This
study
presents
advantages
disadvantages
of
these
technologies.
It
also
provides
pertinent
data
hydrogen
production,
identifying
world‐leading
countries
in
such
USA,
Japan,
China,
government
policies
that
they
adopted.
reports
market
trends
synthesis
by
water
electrolysis,
high
cost
electrolyzers
used,
incentives
for
carbon
become
competitive
with
other
highlights
startups
from
around
world
are
developing
innovative
methodologies
producing
hydrogen.
The
concludes
integrating
production
concepts
social,
environmental,
industry
interests
is
essential.
Langmuir,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Feb. 22, 2025
Penta-octagraphene
(POG)
is
a
newly
suggested
two-dimensional
carbon
allotrope
recognized
for
its
distinct
configuration
and
fascinating
electronic
characteristics.
This
work
presents
new
inorganic
counterpart
of
POG,
named
POG-B4C2N3,
designed
through
density
functional
theory
(DFT)
calculations.
structure
exhibits
direct
band
gap
transition
at
the
X-point,
measured
0.32/0.86
eV
with
PBE/HSE
functionals.
Mechanical
properties
were
comprehensively
assessed,
showcasing
Young's
modulus
(Ymax/Ymin
=
157.12/100.84
N/m)
shear
(Gmax/Gmin
83.03/38.09
N/m),
alongside
Poisson's
ratio
(νmax/νmin
0.58/-0.09),
indicating
that
POG-B4C2N3
an
auxetic
material.
Additionally,
Li
decoration
on
this
monolayer
was
studied
to
investigate
potential
enhance
hydrogen
storage
physisorption.
The
Li@POG-B4C2N3
system
shows
robust
physisorption
(adsorption
energies
ranging
from
−0.35
−0.19
eV),
high
capacity
(8.35
wt
%),
effective
desorption
dynamics,
positioning
novel
material
as
promising
platform
reversible
storage.
