Research Square (Research Square),
Год журнала:
2025,
Номер
unknown
Опубликована: Фев. 5, 2025
Abstract
Environmental
pollution,
a
pressing
global
concern,
is
primarily
caused
by
the
release
of
harmful
gases.
These
gases,
such
as
carbon
monoxide
(CO),
dioxide
(CO2),
ammonia
(NH3),
nitrogen
oxides
(NO,
NO2),
and
sulphur
(SO2),
significantly
contribute
to
climate
change,
environmental
degradation,
adverse
health
effects.
To
address
this
issue,
development
advanced
materials,
particularly
nanomaterials
with
their
large
surface
area
active
sites,
crucial
for
detecting
reducing
these
pollutants.
The
present
study
investigated
interaction
between
toxic
gas
molecules
Ga6N6
nanoring
using
density
functional
theory.
results,
adsorption
energies
are
2.09
eV,
-1.75
-2.04
eV
-1.01
revealed
strong
binding
CO2,
NO,
NO2
SO2
molecules,
respectively,
indicating
promising
potential
sensing
removing
However,
interactions
COand
NH3
were
weaker,
suggesting
that
may
not
be
well-suited
Based
on
recovery
time
analysis,
Ga6N6
nanoring
shows
storing
or
SO2
gas
from
specific
environment.
Due
longer
time,
can
effectively
bind
hold
making
it
candidate
remediation
applications.
